N-[4-(tetrazol-1-yl)phenyl]-2H-triazole-4-carboxamide

C10H8N8O — CID 112733239

IUPACN-[4-(tetrazol-1-yl)phenyl]-2H-triazole-4-carboxamide
SMILESO=C(Nc1ccc(-n2cnnn2)cc1)c1cn[nH]n1
InChIInChI=1S/C10H8N8O/c19-10(9-5-11-15-14-9)13-7-1-3-8(4-2-7)18-6-12-16-17-18/h1-6H,(H,13,19)(H,11,14,15)
InChIKeyVSTLKSJNCOCVOH-UHFFFAOYSA-N
MW256.23 g/mol
LogP0.03
Rot. Bonds3

About N-[4-(tetrazol-1-yl)phenyl]-2H-triazole-4-carboxamide

N-[4-(tetrazol-1-yl)phenyl]-2H-triazole-4-carboxamide (PubChem CID 112733239) has the molecular formula C10H8N8O and a molecular weight of 256.23 g/mol. Its IUPAC name is N-[4-(tetrazol-1-yl)phenyl]-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(tetrazol-1-yl)phenyl]-2H-triazole-4-carboxamide
PubChem CID112733239
Molecular FormulaC10H8N8O
Molecular Weight256.23 g/mol
Exact Mass256.08
IUPAC NameN-[4-(tetrazol-1-yl)phenyl]-2H-triazole-4-carboxamide
SMILESO=C(Nc1ccc(-n2cnnn2)cc1)c1cn[nH]n1
InChIInChI=1S/C10H8N8O/c19-10(9-5-11-15-14-9)13-7-1-3-8(4-2-7)18-6-12-16-17-18/h1-6H,(H,13,19)(H,11,14,15)
InChIKeyVSTLKSJNCOCVOH-UHFFFAOYSA-N
XLogP0.03
TPSA114.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.23
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-(tetrazol-1-yl)phenyl]-2H-triazole-4-carboxamide
CID 47367692
N-[4-(carbamoylamino)phenyl]-2H-triazole-4-carboxamide
CID 47338316
3-chloro-N-[4-(tetrazol-1-yl)phenyl]propanamide
CID 43167870
4-iodo-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 26729235
N-(4-ethylphenyl)-4-(tetrazol-1-yl)benzamide
CID 7465186
N-[4-(trifluoromethyl)phenyl]-2H-triazole-4-carboxamide
CID 110475487
N-[4-(tetrazol-1-yl)phenyl]-4-(trifluoromethyl)benzamide
CID 7930055
5-bromo-N-[4-(tetrazol-1-yl)phenyl]pentanamide
CID 114014593
2,3-dichloro-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 26729277
5-bromo-2-chloro-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 40622208
4-nitro-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 17011174
3-amino-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 61117464

Frequently Asked Questions

What is the IUPAC name of N-[4-(tetrazol-1-yl)phenyl]-2H-triazole-4-carboxamide?
The IUPAC name of N-[4-(tetrazol-1-yl)phenyl]-2H-triazole-4-carboxamide (CID 112733239) is N-[4-(tetrazol-1-yl)phenyl]-2H-triazole-4-carboxamide.
What is the SMILES notation for N-[4-(tetrazol-1-yl)phenyl]-2H-triazole-4-carboxamide?
The canonical SMILES for N-[4-(tetrazol-1-yl)phenyl]-2H-triazole-4-carboxamide is O=C(Nc1ccc(-n2cnnn2)cc1)c1cn[nH]n1.
What is the InChIKey of N-[4-(tetrazol-1-yl)phenyl]-2H-triazole-4-carboxamide?
The InChIKey is VSTLKSJNCOCVOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N8O/c19-10(9-5-11-15-14-9)13-7-1-3-8(4-2-7)18-6-12-16-17-18/h1-6H,(H,13,19)(H,11,14,15).
What are the key properties of N-[4-(tetrazol-1-yl)phenyl]-2H-triazole-4-carboxamide?
N-[4-(tetrazol-1-yl)phenyl]-2H-triazole-4-carboxamide has a molecular weight of 256.23 g/mol, XLogP of 0.03, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(tetrazol-1-yl)phenyl]-2H-triazole-4-carboxamide is sourced from PubChem (CID 112733239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).