3-(5-amino-2-benzyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)benzonitrile

C19H14N6 — CID 149388971

IUPAC3-(5-amino-2-benzyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)benzonitrile
SMILESN#Cc1cccc(-c2cc3nc(Cc4ccccc4)nn3c(N)n2)c1
InChIInChI=1S/C19H14N6/c20-12-14-7-4-8-15(9-14)16-11-18-23-17(24-25(18)19(21)22-16)10-13-5-2-1-3-6-13/h1-9,11H,10H2,(H2,21,22)
InChIKeyYNDPIDHPROZBJF-UHFFFAOYSA-N
MW326.36 g/mol
LogP2.84
Rot. Bonds3

About 3-(5-amino-2-benzyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)benzonitrile

3-(5-amino-2-benzyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)benzonitrile (PubChem CID 149388971) has the molecular formula C19H14N6 and a molecular weight of 326.36 g/mol. Its IUPAC name is 3-(5-amino-2-benzyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)benzonitrile.

Molecular Properties

Compound Name3-(5-amino-2-benzyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)benzonitrile
PubChem CID149388971
Molecular FormulaC19H14N6
Molecular Weight326.36 g/mol
Exact Mass326.13
IUPAC Name3-(5-amino-2-benzyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)benzonitrile
SMILESN#Cc1cccc(-c2cc3nc(Cc4ccccc4)nn3c(N)n2)c1
InChIInChI=1S/C19H14N6/c20-12-14-7-4-8-15(9-14)16-11-18-23-17(24-25(18)19(21)22-16)10-13-5-2-1-3-6-13/h1-9,11H,10H2,(H2,21,22)
InChIKeyYNDPIDHPROZBJF-UHFFFAOYSA-N
XLogP2.84
TPSA92.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2-phenyl-1,3-thiazol-4-yl)benzonitrile
CID 55219786
3-[5-amino-8-bromo-2-[(3-fluoro-2-pyridinyl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]benzonitrile
CID 139508800
3-[5-amino-8-bromo-2-[[6-(trifluoromethyl)-2-pyridinyl]methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]benzonitrile
CID 139508840
3-[3-(2,6-diphenylpyrimidin-4-yl)quinoxalin-2-yl]benzonitrile
CID 153355113
3-[6-(4-cyanophenyl)-2-pyridinyl]benzonitrile
CID 10016570
3-[5-amino-8-(2-methoxy-6-methyl-4-pyridinyl)-2-(pyridin-2-ylmethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]benzonitrile
CID 139508728
3-[5-(3,5-diamino-1,2,4-triazol-1-yl)-2-pyridinyl]benzonitrile
CID 66694907
3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)benzonitrile
CID 82556414
3-(5,6-diphenylpyrazin-2-yl)benzonitrile
CID 66672885
3-(1,5-diaminoimidazol-4-yl)benzonitrile
CID 62481562
3-[4-[3-(2,6-diphenylpyrimidin-4-yl)quinoxalin-2-yl]phenyl]benzonitrile
CID 153354912
3-(2,4-diphenylbenzo[h]quinolin-6-yl)benzonitrile
CID 70959604

Frequently Asked Questions

What is the IUPAC name of 3-(5-amino-2-benzyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)benzonitrile?
The IUPAC name of 3-(5-amino-2-benzyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)benzonitrile (CID 149388971) is 3-(5-amino-2-benzyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)benzonitrile.
What is the SMILES notation for 3-(5-amino-2-benzyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)benzonitrile?
The canonical SMILES for 3-(5-amino-2-benzyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)benzonitrile is N#Cc1cccc(-c2cc3nc(Cc4ccccc4)nn3c(N)n2)c1.
What is the InChIKey of 3-(5-amino-2-benzyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)benzonitrile?
The InChIKey is YNDPIDHPROZBJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N6/c20-12-14-7-4-8-15(9-14)16-11-18-23-17(24-25(18)19(21)22-16)10-13-5-2-1-3-6-13/h1-9,11H,10H2,(H2,21,22).
What are the key properties of 3-(5-amino-2-benzyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)benzonitrile?
3-(5-amino-2-benzyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)benzonitrile has a molecular weight of 326.36 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-2-benzyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)benzonitrile is sourced from PubChem (CID 149388971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).