3-imidazol-1-yl-N'-(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)benzohydrazide

C14H13N7O2 — CID 166209656

IUPAC3-imidazol-1-yl-N'-(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)benzohydrazide
SMILESCc1nnc(NNC(=O)c2cccc(-n3ccnc3)c2)[nH]c1=O
InChIInChI=1S/C14H13N7O2/c1-9-12(22)16-14(19-17-9)20-18-13(23)10-3-2-4-11(7-10)21-6-5-15-8-21/h2-8H,1H3,(H,18,23)(H2,16,19,20,22)
InChIKeyHTJVRDSJJHIDLS-UHFFFAOYSA-N
MW311.31 g/mol
LogP0.42
Rot. Bonds4

About 3-imidazol-1-yl-N'-(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)benzohydrazide

3-imidazol-1-yl-N'-(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)benzohydrazide (PubChem CID 166209656) has the molecular formula C14H13N7O2 and a molecular weight of 311.31 g/mol. Its IUPAC name is 3-imidazol-1-yl-N'-(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)benzohydrazide.

Molecular Properties

Compound Name3-imidazol-1-yl-N'-(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)benzohydrazide
PubChem CID166209656
Molecular FormulaC14H13N7O2
Molecular Weight311.31 g/mol
Exact Mass311.11
IUPAC Name3-imidazol-1-yl-N'-(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)benzohydrazide
SMILESCc1nnc(NNC(=O)c2cccc(-n3ccnc3)c2)[nH]c1=O
InChIInChI=1S/C14H13N7O2/c1-9-12(22)16-14(19-17-9)20-18-13(23)10-3-2-4-11(7-10)21-6-5-15-8-21/h2-8H,1H3,(H,18,23)(H2,16,19,20,22)
InChIKeyHTJVRDSJJHIDLS-UHFFFAOYSA-N
XLogP0.42
TPSA117.59 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.31
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(2,3-dimethylphenyl)-3-imidazol-1-ylbenzamide
CID 99532175
4-(3-imidazol-1-ylbenzoyl)-5-methyl-1,3-dihydroimidazol-2-one
CID 139635569
3-imidazol-1-yl-N-(1-methylpyrazol-4-yl)benzamide
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N-(2-hydroxy-2-phenylpropyl)-3-imidazol-1-ylbenzamide
CID 111425601
3-imidazol-1-yl-N-(2-methyl-4-propoxyphenyl)benzamide
CID 99540046
methyl (2R,3S)-3-[(3-imidazol-1-ylbenzoyl)amino]-2-methyl-3-phenylpropanoate
CID 95974182
N-(benzimidazol-1-yl)-3-imidazol-1-ylbenzamide
CID 57066287
3-imidazol-1-yl-N-[2-[(2-phenylacetyl)amino]ethyl]benzamide
CID 154748801
3-imidazol-1-yl-N-[(3S)-2,2,5,5-tetramethyloxolan-3-yl]benzamide
CID 99819921
N-[(4-hydroxyoxan-4-yl)methyl]-3-imidazol-1-ylbenzamide
CID 111486071
(3-imidazol-1-ylphenyl)-piperazin-1-ylmethanone
CID 164591408
1-(3-imidazol-1-ylphenyl)propan-2-one
CID 82607597

Frequently Asked Questions

What is the IUPAC name of 3-imidazol-1-yl-N'-(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)benzohydrazide?
The IUPAC name of 3-imidazol-1-yl-N'-(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)benzohydrazide (CID 166209656) is 3-imidazol-1-yl-N'-(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)benzohydrazide.
What is the SMILES notation for 3-imidazol-1-yl-N'-(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)benzohydrazide?
The canonical SMILES for 3-imidazol-1-yl-N'-(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)benzohydrazide is Cc1nnc(NNC(=O)c2cccc(-n3ccnc3)c2)[nH]c1=O.
What is the InChIKey of 3-imidazol-1-yl-N'-(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)benzohydrazide?
The InChIKey is HTJVRDSJJHIDLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N7O2/c1-9-12(22)16-14(19-17-9)20-18-13(23)10-3-2-4-11(7-10)21-6-5-15-8-21/h2-8H,1H3,(H,18,23)(H2,16,19,20,22).
What are the key properties of 3-imidazol-1-yl-N'-(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)benzohydrazide?
3-imidazol-1-yl-N'-(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)benzohydrazide has a molecular weight of 311.31 g/mol, XLogP of 0.42, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazol-1-yl-N'-(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)benzohydrazide is sourced from PubChem (CID 166209656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).