N'-[4-(1,2,4-triazol-1-ylmethyl)benzoyl]pyridine-3-carbohydrazide

C16H14N6O2 — CID 42063957

IUPACN'-[4-(1,2,4-triazol-1-ylmethyl)benzoyl]pyridine-3-carbohydrazide
SMILESO=C(NNC(=O)c1cccnc1)c1ccc(Cn2cncn2)cc1
InChIInChI=1S/C16H14N6O2/c23-15(20-21-16(24)14-2-1-7-17-8-14)13-5-3-12(4-6-13)9-22-11-18-10-19-22/h1-8,10-11H,9H2,(H,20,23)(H,21,24)
InChIKeyLPSAIUCWRSKEDA-UHFFFAOYSA-N
MW322.33 g/mol
LogP0.80
Rot. Bonds4

About N'-[4-(1,2,4-triazol-1-ylmethyl)benzoyl]pyridine-3-carbohydrazide

N'-[4-(1,2,4-triazol-1-ylmethyl)benzoyl]pyridine-3-carbohydrazide (PubChem CID 42063957) has the molecular formula C16H14N6O2 and a molecular weight of 322.33 g/mol. Its IUPAC name is N'-[4-(1,2,4-triazol-1-ylmethyl)benzoyl]pyridine-3-carbohydrazide.

Molecular Properties

Compound NameN'-[4-(1,2,4-triazol-1-ylmethyl)benzoyl]pyridine-3-carbohydrazide
PubChem CID42063957
Molecular FormulaC16H14N6O2
Molecular Weight322.33 g/mol
Exact Mass322.12
IUPAC NameN'-[4-(1,2,4-triazol-1-ylmethyl)benzoyl]pyridine-3-carbohydrazide
SMILESO=C(NNC(=O)c1cccnc1)c1ccc(Cn2cncn2)cc1
InChIInChI=1S/C16H14N6O2/c23-15(20-21-16(24)14-2-1-7-17-8-14)13-5-3-12(4-6-13)9-22-11-18-10-19-22/h1-8,10-11H,9H2,(H,20,23)(H,21,24)
InChIKeyLPSAIUCWRSKEDA-UHFFFAOYSA-N
XLogP0.80
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.33
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyridine-3-carboxamide
CID 43073180
4-(1,2,4-triazol-1-ylmethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 18145582
4-methyl-2-phenyl-N'-[4-(1,2,4-triazol-1-ylmethyl)benzoyl]-1,3-thiazole-5-carbohydrazide
CID 24615819
N-[[4-[(pyridine-3-carbonylamino)carbamoyl]phenyl]methyl]acetamide
CID 32688575
N-[4-(methylcarbamoyl)phenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 24603454
2-chloro-N-[2-[[4-(1,2,4-triazol-1-ylmethyl)benzoyl]amino]ethyl]benzamide
CID 55659343
N-(2-ethylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 46394811
4-chloro-2-methoxy-N'-[4-(1,2,4-triazol-1-ylmethyl)benzoyl]benzohydrazide
CID 30760557
N'-(4-iodobenzoyl)pyridine-3-carbohydrazide
CID 19166393
N-(4-tert-butylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 51306669
N-(1-methylcyclobutyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 92583010
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 35859922

Frequently Asked Questions

What is the IUPAC name of N'-[4-(1,2,4-triazol-1-ylmethyl)benzoyl]pyridine-3-carbohydrazide?
The IUPAC name of N'-[4-(1,2,4-triazol-1-ylmethyl)benzoyl]pyridine-3-carbohydrazide (CID 42063957) is N'-[4-(1,2,4-triazol-1-ylmethyl)benzoyl]pyridine-3-carbohydrazide.
What is the SMILES notation for N'-[4-(1,2,4-triazol-1-ylmethyl)benzoyl]pyridine-3-carbohydrazide?
The canonical SMILES for N'-[4-(1,2,4-triazol-1-ylmethyl)benzoyl]pyridine-3-carbohydrazide is O=C(NNC(=O)c1cccnc1)c1ccc(Cn2cncn2)cc1.
What is the InChIKey of N'-[4-(1,2,4-triazol-1-ylmethyl)benzoyl]pyridine-3-carbohydrazide?
The InChIKey is LPSAIUCWRSKEDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6O2/c23-15(20-21-16(24)14-2-1-7-17-8-14)13-5-3-12(4-6-13)9-22-11-18-10-19-22/h1-8,10-11H,9H2,(H,20,23)(H,21,24).
What are the key properties of N'-[4-(1,2,4-triazol-1-ylmethyl)benzoyl]pyridine-3-carbohydrazide?
N'-[4-(1,2,4-triazol-1-ylmethyl)benzoyl]pyridine-3-carbohydrazide has a molecular weight of 322.33 g/mol, XLogP of 0.80, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(1,2,4-triazol-1-ylmethyl)benzoyl]pyridine-3-carbohydrazide is sourced from PubChem (CID 42063957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).