2-chloro-N-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-4-(tetrazol-1-yl)benzamide

C14H13ClN8O — CID 136546547

IUPAC2-chloro-N-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-4-(tetrazol-1-yl)benzamide
SMILESO=C(NCc1nc(C2CC2)n[nH]1)c1ccc(-n2cnnn2)cc1Cl
InChIInChI=1S/C14H13ClN8O/c15-11-5-9(23-7-17-21-22-23)3-4-10(11)14(24)16-6-12-18-13(20-19-12)8-1-2-8/h3-5,7-8H,1-2,6H2,(H,16,24)(H,18,19,20)
InChIKeyZRKGBCLJFBIGHJ-UHFFFAOYSA-N
MW344.77 g/mol
LogP1.24
Rot. Bonds5

About 2-chloro-N-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-4-(tetrazol-1-yl)benzamide

2-chloro-N-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-4-(tetrazol-1-yl)benzamide (PubChem CID 136546547) has the molecular formula C14H13ClN8O and a molecular weight of 344.77 g/mol. Its IUPAC name is 2-chloro-N-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-4-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound Name2-chloro-N-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-4-(tetrazol-1-yl)benzamide
PubChem CID136546547
Molecular FormulaC14H13ClN8O
Molecular Weight344.77 g/mol
Exact Mass344.09
IUPAC Name2-chloro-N-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-4-(tetrazol-1-yl)benzamide
SMILESO=C(NCc1nc(C2CC2)n[nH]1)c1ccc(-n2cnnn2)cc1Cl
InChIInChI=1S/C14H13ClN8O/c15-11-5-9(23-7-17-21-22-23)3-4-10(11)14(24)16-6-12-18-13(20-19-12)8-1-2-8/h3-5,7-8H,1-2,6H2,(H,16,24)(H,18,19,20)
InChIKeyZRKGBCLJFBIGHJ-UHFFFAOYSA-N
XLogP1.24
TPSA114.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.77
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-chloro-N-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-4-(tetrazol-1-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-(tetrazol-1-yl)benzamide
CID 120945715
2-chloro-N-[[2-(hydroxymethyl)phenyl]methyl]-4-(tetrazol-1-yl)benzamide
CID 111102341
2-chloro-N-[(2-methylpyrazol-3-yl)methyl]-4-(tetrazol-1-yl)benzamide
CID 154798269
3-[[2-chloro-4-(tetrazol-1-yl)benzoyl]amino]-N-ethylpyrrolidine-1-carboxamide
CID 154803232
2-chloro-N-[(4-fluorophenyl)methyl]-5-(tetrazol-1-yl)benzamide
CID 29139776
7-chloro-N-[[3-[(3R)-oxolan-3-yl]-1H-1,2,4-triazol-5-yl]methyl]-1-benzofuran-4-carboxamide
CID 164634818
N-[[(1S,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2-chloro-5-(tetrazol-1-yl)benzamide
CID 99794196
2-chloro-N-[(2R)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-phenylethyl]-4-(tetrazol-1-yl)benzamide
CID 121399226
2-chloro-N-(2-methylpropyl)-5-(tetrazol-1-yl)benzamide
CID 42582450
[2-chloro-4-(tetrazol-1-yl)phenyl]-[(3R,5R)-3,5-dimethylpiperazin-1-yl]methanone
CID 124589606
1-[2-chloro-4-(tetrazol-1-yl)benzoyl]piperidine-3-carboxylic acid
CID 126770633
(3R)-1-[2-chloro-4-(tetrazol-1-yl)benzoyl]piperidine-3-carboxylic acid
CID 129381235

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-4-(tetrazol-1-yl)benzamide?
The IUPAC name of 2-chloro-N-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-4-(tetrazol-1-yl)benzamide (CID 136546547) is 2-chloro-N-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-4-(tetrazol-1-yl)benzamide.
What is the SMILES notation for 2-chloro-N-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-4-(tetrazol-1-yl)benzamide?
The canonical SMILES for 2-chloro-N-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-4-(tetrazol-1-yl)benzamide is O=C(NCc1nc(C2CC2)n[nH]1)c1ccc(-n2cnnn2)cc1Cl.
What is the InChIKey of 2-chloro-N-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-4-(tetrazol-1-yl)benzamide?
The InChIKey is ZRKGBCLJFBIGHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN8O/c15-11-5-9(23-7-17-21-22-23)3-4-10(11)14(24)16-6-12-18-13(20-19-12)8-1-2-8/h3-5,7-8H,1-2,6H2,(H,16,24)(H,18,19,20).
What are the key properties of 2-chloro-N-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-4-(tetrazol-1-yl)benzamide?
2-chloro-N-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-4-(tetrazol-1-yl)benzamide has a molecular weight of 344.77 g/mol, XLogP of 1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-4-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 136546547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).