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

C17H14N8O — CID 136578425

IUPACN-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-4-(tetrazol-1-yl)benzamide
SMILESCc1nc(-c2cccc(NC(=O)c3ccc(-n4cnnn4)cc3)c2)n[nH]1
InChIInChI=1S/C17H14N8O/c1-11-19-16(22-21-11)13-3-2-4-14(9-13)20-17(26)12-5-7-15(8-6-12)25-10-18-23-24-25/h2-10H,1H3,(H,20,26)(H,19,21,22)
InChIKeyVHPGKWHYNKFRQE-UHFFFAOYSA-N
MW346.35 g/mol
LogP2.01
Rot. Bonds4

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

N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-4-(tetrazol-1-yl)benzamide (PubChem CID 136578425) has the molecular formula C17H14N8O and a molecular weight of 346.35 g/mol. Its IUPAC name is N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-4-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-4-(tetrazol-1-yl)benzamide
PubChem CID136578425
Molecular FormulaC17H14N8O
Molecular Weight346.35 g/mol
Exact Mass346.13
IUPAC NameN-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-4-(tetrazol-1-yl)benzamide
SMILESCc1nc(-c2cccc(NC(=O)c3ccc(-n4cnnn4)cc3)c2)n[nH]1
InChIInChI=1S/C17H14N8O/c1-11-19-16(22-21-11)13-3-2-4-14(9-13)20-17(26)12-5-7-15(8-6-12)25-10-18-23-24-25/h2-10H,1H3,(H,20,26)(H,19,21,22)
InChIKeyVHPGKWHYNKFRQE-UHFFFAOYSA-N
XLogP2.01
TPSA114.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide
CID 55983520
4-methylsulfonyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]benzamide
CID 131927235
N-[3-chloro-4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3-(tetrazol-1-yl)benzamide
CID 136520682
N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 55826182
N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-4-(trifluoromethylsulfonyl)benzamide
CID 52668628
3-amino-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-1H-pyrazole-5-carboxamide
CID 64525875
3-acetamido-4-methyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]benzamide
CID 87011024
N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 131900628
4-bromo-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-1H-pyrrole-2-carboxamide
CID 60933061
2,4-dimethyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-1,3-thiazole-5-carboxamide
CID 136578426
5-acetyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]thiophene-2-carboxamide
CID 131930308
4-amino-N-[3-(tetrazol-1-yl)phenyl]benzamide
CID 43702822

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-4-(tetrazol-1-yl)benzamide?
The IUPAC name of N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-4-(tetrazol-1-yl)benzamide (CID 136578425) is N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-4-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-4-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-4-(tetrazol-1-yl)benzamide is Cc1nc(-c2cccc(NC(=O)c3ccc(-n4cnnn4)cc3)c2)n[nH]1.
What is the InChIKey of N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-4-(tetrazol-1-yl)benzamide?
The InChIKey is VHPGKWHYNKFRQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N8O/c1-11-19-16(22-21-11)13-3-2-4-14(9-13)20-17(26)12-5-7-15(8-6-12)25-10-18-23-24-25/h2-10H,1H3,(H,20,26)(H,19,21,22).
What are the key properties of N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-4-(tetrazol-1-yl)benzamide?
N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-4-(tetrazol-1-yl)benzamide has a molecular weight of 346.35 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-4-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 136578425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).