N-[3-(1-methyltetrazol-5-yl)phenyl]-2H-triazole-4-carboxamide

C11H10N8O — CID 112733195

IUPACN-[3-(1-methyltetrazol-5-yl)phenyl]-2H-triazole-4-carboxamide
SMILESCn1nnnc1-c1cccc(NC(=O)c2cn[nH]n2)c1
InChIInChI=1S/C11H10N8O/c1-19-10(15-17-18-19)7-3-2-4-8(5-7)13-11(20)9-6-12-16-14-9/h2-6H,1H3,(H,13,20)(H,12,14,16)
InChIKeyFUFMMGIILLHBFB-UHFFFAOYSA-N
MW270.26 g/mol
LogP0.25
Rot. Bonds3

About N-[3-(1-methyltetrazol-5-yl)phenyl]-2H-triazole-4-carboxamide

N-[3-(1-methyltetrazol-5-yl)phenyl]-2H-triazole-4-carboxamide (PubChem CID 112733195) has the molecular formula C11H10N8O and a molecular weight of 270.26 g/mol. Its IUPAC name is N-[3-(1-methyltetrazol-5-yl)phenyl]-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(1-methyltetrazol-5-yl)phenyl]-2H-triazole-4-carboxamide
PubChem CID112733195
Molecular FormulaC11H10N8O
Molecular Weight270.26 g/mol
Exact Mass270.10
IUPAC NameN-[3-(1-methyltetrazol-5-yl)phenyl]-2H-triazole-4-carboxamide
SMILESCn1nnnc1-c1cccc(NC(=O)c2cn[nH]n2)c1
InChIInChI=1S/C11H10N8O/c1-19-10(15-17-18-19)7-3-2-4-8(5-7)13-11(20)9-6-12-16-14-9/h2-6H,1H3,(H,13,20)(H,12,14,16)
InChIKeyFUFMMGIILLHBFB-UHFFFAOYSA-N
XLogP0.25
TPSA114.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.26
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2H-triazole-4-carboxamide
CID 112733395
3-chloro-N-[3-(1-methyltetrazol-5-yl)phenyl]benzamide
CID 30414116
5,6-dichloro-N-[3-(1-methyltetrazol-5-yl)phenyl]pyridine-3-carboxamide
CID 51304309
2-amino-N-[3-(1-methyltetrazol-5-yl)phenyl]-1,3-thiazole-4-carboxamide
CID 62788208
3-amino-N-[3-(1-methyltetrazol-5-yl)phenyl]-1H-1,2,4-triazole-5-carboxamide
CID 62808067
2-bromo-N-[3-(1-methyltetrazol-5-yl)phenyl]benzamide
CID 17422742
2-[(2-methylpropan-2-yl)oxy]-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide
CID 115949897
N-[3-(1-methyltetrazol-5-yl)phenyl]but-2-enamide
CID 112723851
4-ethyl-N-[3-(1-methyltetrazol-5-yl)phenyl]-1,3-thiazole-5-carboxamide
CID 136517028
(2R)-2-amino-N-[3-(1-methyltetrazol-5-yl)phenyl]propanamide
CID 54991442
N-[3-(1-methyltetrazol-5-yl)phenyl]-5-(piperidin-1-ylmethyl)-1,2-oxazole-3-carboxamide
CID 155950743
N-[3-(tetrazol-1-yl)phenyl]-2H-triazole-4-carboxamide
CID 47367692

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-methyltetrazol-5-yl)phenyl]-2H-triazole-4-carboxamide?
The IUPAC name of N-[3-(1-methyltetrazol-5-yl)phenyl]-2H-triazole-4-carboxamide (CID 112733195) is N-[3-(1-methyltetrazol-5-yl)phenyl]-2H-triazole-4-carboxamide.
What is the SMILES notation for N-[3-(1-methyltetrazol-5-yl)phenyl]-2H-triazole-4-carboxamide?
The canonical SMILES for N-[3-(1-methyltetrazol-5-yl)phenyl]-2H-triazole-4-carboxamide is Cn1nnnc1-c1cccc(NC(=O)c2cn[nH]n2)c1.
What is the InChIKey of N-[3-(1-methyltetrazol-5-yl)phenyl]-2H-triazole-4-carboxamide?
The InChIKey is FUFMMGIILLHBFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N8O/c1-19-10(15-17-18-19)7-3-2-4-8(5-7)13-11(20)9-6-12-16-14-9/h2-6H,1H3,(H,13,20)(H,12,14,16).
What are the key properties of N-[3-(1-methyltetrazol-5-yl)phenyl]-2H-triazole-4-carboxamide?
N-[3-(1-methyltetrazol-5-yl)phenyl]-2H-triazole-4-carboxamide has a molecular weight of 270.26 g/mol, XLogP of 0.25, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-methyltetrazol-5-yl)phenyl]-2H-triazole-4-carboxamide is sourced from PubChem (CID 112733195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).