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157871-55-1 | 4-5H,6H,7H,8H-[1,2,4]Triazolo[4,3-a]pyrimidin-3-ylpyridine
CAS No: 157871-55-1 Catalog No: AG01F74I MDL No:
Product Description
Catalog Number:
AG01F74I
Chemical Name:
4-5H,6H,7H,8H-[1,2,4]Triazolo[4,3-a]pyrimidin-3-ylpyridine
CAS Number:
157871-55-1
Molecular Formula:
C10H11N5
Molecular Weight:
201.2278
IUPAC Name:
3-pyridin-4-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrimidine
InChI:
InChI=1S/C10H11N5/c1-4-12-10-14-13-9(15(10)7-1)8-2-5-11-6-3-8/h2-3,5-6H,1,4,7H2,(H,12,14)
InChI Key:
QCZSQSQDQAEHLT-UHFFFAOYSA-N
SMILES:
C1CNc2n(C1)c(nn2)c1ccncc1
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.101g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
201.233g/mol
Monoisotopic Mass:
201.101g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
55.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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