[5-(benzylamino)-3-pyridin-3-yl-1,2,4-triazol-1-yl]-pyridin-4-ylmethanone

C20H16N6O — CID 3922831

IUPAC[5-(benzylamino)-3-pyridin-3-yl-1,2,4-triazol-1-yl]-pyridin-4-ylmethanone
SMILESO=C(c1ccncc1)n1nc(-c2cccnc2)nc1NCc1ccccc1
InChIInChI=1S/C20H16N6O/c27-19(16-8-11-21-12-9-16)26-20(23-13-15-5-2-1-3-6-15)24-18(25-26)17-7-4-10-22-14-17/h1-12,14H,13H2,(H,23,24,25)
InChIKeyGGVUDTYJBHJWPQ-UHFFFAOYSA-N
MW356.39 g/mol
LogP3.04
Rot. Bonds5

About [5-(benzylamino)-3-pyridin-3-yl-1,2,4-triazol-1-yl]-pyridin-4-ylmethanone

[5-(benzylamino)-3-pyridin-3-yl-1,2,4-triazol-1-yl]-pyridin-4-ylmethanone (PubChem CID 3922831) has the molecular formula C20H16N6O and a molecular weight of 356.39 g/mol. Its IUPAC name is [5-(benzylamino)-3-pyridin-3-yl-1,2,4-triazol-1-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[5-(benzylamino)-3-pyridin-3-yl-1,2,4-triazol-1-yl]-pyridin-4-ylmethanone
PubChem CID3922831
Molecular FormulaC20H16N6O
Molecular Weight356.39 g/mol
Exact Mass356.14
IUPAC Name[5-(benzylamino)-3-pyridin-3-yl-1,2,4-triazol-1-yl]-pyridin-4-ylmethanone
SMILESO=C(c1ccncc1)n1nc(-c2cccnc2)nc1NCc1ccccc1
InChIInChI=1S/C20H16N6O/c27-19(16-8-11-21-12-9-16)26-20(23-13-15-5-2-1-3-6-15)24-18(25-26)17-7-4-10-22-14-17/h1-12,14H,13H2,(H,23,24,25)
InChIKeyGGVUDTYJBHJWPQ-UHFFFAOYSA-N
XLogP3.04
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [5-(benzylamino)-3-pyridin-3-yl-1,2,4-triazol-1-yl]-pyridin-4-ylmethanone with MolForge

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Related Compounds

[5-[(4-fluorophenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]-pyridin-4-ylmethanone
CID 3432212
[5-(benzylamino)-3-pyridin-3-yl-1,2,4-triazol-1-yl]-(4-tert-butylphenyl)methanone
CID 3896976
[5-(benzylamino)-3-pyridin-3-yl-1,2,4-triazol-1-yl]-(3-chlorophenyl)methanone
CID 3296582
3-[[(2-benzoyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)amino]methyl]benzonitrile
CID 67450258
phenyl-[3-pyridin-3-yl-5-(pyridin-2-ylmethylamino)-1,2,4-triazol-1-yl]methanone
CID 67450762
[5-[[4-(dimethylamino)phenyl]methylamino]-3-phenyl-1,2,4-triazol-1-yl]-pyridin-4-ylmethanone
CID 3911196
(2-chlorophenyl)-[5-[(4-fluorophenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]methanone
CID 2979853
[5-[[4-(dimethylamino)phenyl]methylamino]-3-phenyl-1,2,4-triazol-1-yl]-pyridin-3-ylmethanone
CID 2972353
[5-(benzylamino)-3-pyridin-4-yl-1,2,4-triazol-1-yl]-(3-methylphenyl)methanone
CID 71253521
5-[(4-fluorophenyl)methylamino]-N-phenyl-3-pyridin-3-yl-1,2,4-triazole-1-carboxamide
CID 142770533
[3-(furan-2-yl)-5-(pyridin-3-ylmethylamino)-1,2,4-triazol-1-yl]-phenylmethanone
CID 53491871
[5-[(4-methoxyphenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 3547667

Frequently Asked Questions

What is the IUPAC name of [5-(benzylamino)-3-pyridin-3-yl-1,2,4-triazol-1-yl]-pyridin-4-ylmethanone?
The IUPAC name of [5-(benzylamino)-3-pyridin-3-yl-1,2,4-triazol-1-yl]-pyridin-4-ylmethanone (CID 3922831) is [5-(benzylamino)-3-pyridin-3-yl-1,2,4-triazol-1-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [5-(benzylamino)-3-pyridin-3-yl-1,2,4-triazol-1-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [5-(benzylamino)-3-pyridin-3-yl-1,2,4-triazol-1-yl]-pyridin-4-ylmethanone is O=C(c1ccncc1)n1nc(-c2cccnc2)nc1NCc1ccccc1.
What is the InChIKey of [5-(benzylamino)-3-pyridin-3-yl-1,2,4-triazol-1-yl]-pyridin-4-ylmethanone?
The InChIKey is GGVUDTYJBHJWPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N6O/c27-19(16-8-11-21-12-9-16)26-20(23-13-15-5-2-1-3-6-15)24-18(25-26)17-7-4-10-22-14-17/h1-12,14H,13H2,(H,23,24,25).
What are the key properties of [5-(benzylamino)-3-pyridin-3-yl-1,2,4-triazol-1-yl]-pyridin-4-ylmethanone?
[5-(benzylamino)-3-pyridin-3-yl-1,2,4-triazol-1-yl]-pyridin-4-ylmethanone has a molecular weight of 356.39 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(benzylamino)-3-pyridin-3-yl-1,2,4-triazol-1-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 3922831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).