N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide

C14H11N5O — CID 35434930

IUPACN-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide
SMILESO=C(Nc1ccc(-n2cncn2)nc1)c1ccccc1
InChIInChI=1S/C14H11N5O/c20-14(11-4-2-1-3-5-11)18-12-6-7-13(16-8-12)19-10-15-9-17-19/h1-10H,(H,18,20)
InChIKeyMUMVDDKSMRASLN-UHFFFAOYSA-N
MW265.28 g/mol
LogP1.91
Rot. Bonds3

About N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide

N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide (PubChem CID 35434930) has the molecular formula C14H11N5O and a molecular weight of 265.28 g/mol. Its IUPAC name is N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide.

Molecular Properties

Compound NameN-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide
PubChem CID35434930
Molecular FormulaC14H11N5O
Molecular Weight265.28 g/mol
Exact Mass265.10
IUPAC NameN-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide
SMILESO=C(Nc1ccc(-n2cncn2)nc1)c1ccccc1
InChIInChI=1S/C14H11N5O/c20-14(11-4-2-1-3-5-11)18-12-6-7-13(16-8-12)19-10-15-9-17-19/h1-10H,(H,18,20)
InChIKeyMUMVDDKSMRASLN-UHFFFAOYSA-N
XLogP1.91
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5,11-Dihydro-6H-pyrido(2,3-b)(1,4)benzodiazepin-6-one
CID 70169
N-(pyridin-2-yl)benzamide
CID 219990
N-(5-amino-2-pyridinyl)-4-trifluoromethylbenzamide
CID 24752865
4-[3-Azanyl-6-[1-Methyl-5-(1-Phenylcyclopropyl)-1,2,4-Triazol-3-Yl]pyrazin-2-Yl]benzamide
CID 126480574
(5-Amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-(4-methylphenyl)methanone
CID 970375
N-Benzyl-3-({[5-(Pyridin-4-Yl)-4h-1,2,4-Triazol-3-Yl]methyl}amino)benzamide
CID 11494718
N-{3-[4-(3-Azido-phenyl)-5-pyridin-4-yl-imidazol-1-yl]-propyl}-4-iodo-benzamide
CID 44404442
4-(5-amino-1-pyridin-2-yl-1H-[1,2,4]triazol-3-ylamino)-N-(2-morpholin-4-yl-ethyl)-benzamide
CID 56593682
US10774086, Example 2
CID 134551579
1-(4-fluorobenzoyl)-3-(3-pyridinyl)-1H-1,2,4-triazol-5-amine
CID 972160
Benzamide, N-[5-(4-pyridinyl)-1H-1,2,4-triazol-3-yl]-
CID 935059
3-({5-cyano-6-[(1-methylethyl)amino]pyrimidin-4-yl}amino)-N-(1-ethyl-1H-pyrazol-5-yl)-4-methylbenzamide
CID 11618330

Frequently Asked Questions

What is the IUPAC name of N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide?
The IUPAC name of N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide (CID 35434930) is N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide.
What is the SMILES notation for N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide?
The canonical SMILES for N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide is O=C(Nc1ccc(-n2cncn2)nc1)c1ccccc1.
What is the InChIKey of N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide?
The InChIKey is MUMVDDKSMRASLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5O/c20-14(11-4-2-1-3-5-11)18-12-6-7-13(16-8-12)19-10-15-9-17-19/h1-10H,(H,18,20).
What are the key properties of N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide?
N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide has a molecular weight of 265.28 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide is sourced from PubChem (CID 35434930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).