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1565093-61-9 | 5,7-dimethyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbaldehyde
CAS No: 1565093-61-9 Catalog No: AG01C1RQ MDL No:MFCD26805521
Product Description
Catalog Number:
AG01C1RQ
Chemical Name:
5,7-dimethyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbaldehyde
CAS Number:
1565093-61-9
Molecular Formula:
C8H10N4O
Molecular Weight:
178.1912
MDL Number:
MFCD26805521
IUPAC Name:
5,7-dimethyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbaldehyde
InChI:
InChI=1S/C8H10N4O/c1-5-7(3-13)6(2)12-8(11-5)9-4-10-12/h3-4,6H,1-2H3,(H,9,10,11)
InChI Key:
DBYVMSTVSNTPQW-UHFFFAOYSA-N
SMILES:
O=CC1=C(C)Nc2n(C1C)ncn2
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.085g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
178.195g/mol
Monoisotopic Mass:
178.085g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
59.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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