200,000+ products from a single source!
sales@angenechem.com
Home > Aldehydes > 1330756-45-0
1330756-45-0 | 5-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbaldehyde
CAS No: 1330756-45-0 Catalog No: AG01AFJE MDL No:MFCD27012437
Product Description
Catalog Number:
AG01AFJE
Chemical Name:
5-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbaldehyde
CAS Number:
1330756-45-0
Molecular Formula:
C12H10N4O
Molecular Weight:
226.2340
MDL Number:
MFCD27012437
IUPAC Name:
5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbaldehyde
InChI:
InChI=1S/C12H10N4O/c17-7-10-6-16-12(13-8-14-16)15-11(10)9-4-2-1-3-5-9/h1-5,7-8H,6H2,(H,13,14,15)
InChI Key:
DDSDBUWZBWJQKW-UHFFFAOYSA-N
SMILES:
O=CC1=C(Nc2n(C1)ncn2)c1ccccc1
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.085g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
226.239g/mol
Monoisotopic Mass:
226.085g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
59.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
Related Products
© 2019 Angene International Limited. All rights Reserved.