2-methyl-N'-[4-(tetrazol-1-yl)benzoyl]benzohydrazide

C16H14N6O2 — CID 30878039

IUPAC2-methyl-N'-[4-(tetrazol-1-yl)benzoyl]benzohydrazide
SMILESCc1ccccc1C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C16H14N6O2/c1-11-4-2-3-5-14(11)16(24)19-18-15(23)12-6-8-13(9-7-12)22-10-17-20-21-22/h2-10H,1H3,(H,18,23)(H,19,24)
InChIKeyOXDOZEVOXFTWPD-UHFFFAOYSA-N
MW322.33 g/mol
LogP1.05
Rot. Bonds3

About 2-methyl-N'-[4-(tetrazol-1-yl)benzoyl]benzohydrazide

2-methyl-N'-[4-(tetrazol-1-yl)benzoyl]benzohydrazide (PubChem CID 30878039) has the molecular formula C16H14N6O2 and a molecular weight of 322.33 g/mol. Its IUPAC name is 2-methyl-N'-[4-(tetrazol-1-yl)benzoyl]benzohydrazide.

Molecular Properties

Compound Name2-methyl-N'-[4-(tetrazol-1-yl)benzoyl]benzohydrazide
PubChem CID30878039
Molecular FormulaC16H14N6O2
Molecular Weight322.33 g/mol
Exact Mass322.12
IUPAC Name2-methyl-N'-[4-(tetrazol-1-yl)benzoyl]benzohydrazide
SMILESCc1ccccc1C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C16H14N6O2/c1-11-4-2-3-5-14(11)16(24)19-18-15(23)12-6-8-13(9-7-12)22-10-17-20-21-22/h2-10H,1H3,(H,18,23)(H,19,24)
InChIKeyOXDOZEVOXFTWPD-UHFFFAOYSA-N
XLogP1.05
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.33
LogP ≤ 51.05
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

2-[(4-chlorophenyl)methoxy]-N'-[4-(tetrazol-1-yl)benzoyl]benzohydrazide
CID 30882374
4-methyl-2-phenyl-N'-[4-(tetrazol-1-yl)benzoyl]-1,3-thiazole-5-carbohydrazide
CID 29491918
N-[2-(piperidine-1-carbonyl)phenyl]-4-(tetrazol-1-yl)benzamide
CID 35276684
3,4,7-trimethyl-N'-[4-(tetrazol-1-yl)benzoyl]-1-benzofuran-2-carbohydrazide
CID 60575788
N'-(4-chlorobenzoyl)-2-methylbenzohydrazide
CID 795258
4-(tetrazol-1-yl)benzohydrazide
CID 2114009
2,4-dimethyl-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 26729305
6-bromo-2-methyl-N'-[4-(tetrazol-1-yl)benzoyl]quinoline-4-carbohydrazide
CID 60621522
N'-(2-naphthalen-2-ylacetyl)-4-(tetrazol-1-yl)benzohydrazide
CID 31540991
4,5-dimethyl-2-pyrrol-1-yl-N'-[4-(tetrazol-1-yl)benzoyl]thiophene-3-carbohydrazide
CID 31261165
4-tert-butyl-N-[2-[[4-(tetrazol-1-yl)benzoyl]amino]phenyl]benzamide
CID 31971288
3,4-diethoxy-N'-[4-(tetrazol-1-yl)benzoyl]benzohydrazide
CID 30879445

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N'-[4-(tetrazol-1-yl)benzoyl]benzohydrazide?
The IUPAC name of 2-methyl-N'-[4-(tetrazol-1-yl)benzoyl]benzohydrazide (CID 30878039) is 2-methyl-N'-[4-(tetrazol-1-yl)benzoyl]benzohydrazide.
What is the SMILES notation for 2-methyl-N'-[4-(tetrazol-1-yl)benzoyl]benzohydrazide?
The canonical SMILES for 2-methyl-N'-[4-(tetrazol-1-yl)benzoyl]benzohydrazide is Cc1ccccc1C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1.
What is the InChIKey of 2-methyl-N'-[4-(tetrazol-1-yl)benzoyl]benzohydrazide?
The InChIKey is OXDOZEVOXFTWPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6O2/c1-11-4-2-3-5-14(11)16(24)19-18-15(23)12-6-8-13(9-7-12)22-10-17-20-21-22/h2-10H,1H3,(H,18,23)(H,19,24).
What are the key properties of 2-methyl-N'-[4-(tetrazol-1-yl)benzoyl]benzohydrazide?
2-methyl-N'-[4-(tetrazol-1-yl)benzoyl]benzohydrazide has a molecular weight of 322.33 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-[4-(tetrazol-1-yl)benzoyl]benzohydrazide is sourced from PubChem (CID 30878039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).