[3-(2H-triazol-4-yl)phenyl]carbamic acid

C9H8N4O2 — CID 69051190

IUPAC[3-(2H-triazol-4-yl)phenyl]carbamic acid
SMILESO=C(O)Nc1cccc(-c2cn[nH]n2)c1
InChIInChI=1S/C9H8N4O2/c14-9(15)11-7-3-1-2-6(4-7)8-5-10-13-12-8/h1-5,11H,(H,14,15)(H,10,12,13)
InChIKeyACSPIWKYVIQGHU-UHFFFAOYSA-N
MW204.19 g/mol
LogP1.56
Rot. Bonds2

About [3-(2H-triazol-4-yl)phenyl]carbamic acid

[3-(2H-triazol-4-yl)phenyl]carbamic acid (PubChem CID 69051190) has the molecular formula C9H8N4O2 and a molecular weight of 204.19 g/mol. Its IUPAC name is [3-(2H-triazol-4-yl)phenyl]carbamic acid.

Molecular Properties

Compound Name[3-(2H-triazol-4-yl)phenyl]carbamic acid
PubChem CID69051190
Molecular FormulaC9H8N4O2
Molecular Weight204.19 g/mol
Exact Mass204.06
IUPAC Name[3-(2H-triazol-4-yl)phenyl]carbamic acid
SMILESO=C(O)Nc1cccc(-c2cn[nH]n2)c1
InChIInChI=1S/C9H8N4O2/c14-9(15)11-7-3-1-2-6(4-7)8-5-10-13-12-8/h1-5,11H,(H,14,15)(H,10,12,13)
InChIKeyACSPIWKYVIQGHU-UHFFFAOYSA-N
XLogP1.56
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-2-methyl-N-[3-(2H-triazol-4-yl)phenyl]propanamide
CID 162443217
[3-(2-oxo-1H-pyrimidin-5-yl)phenyl]carbamic acid
CID 146525132
(3-phenylphenyl)carbamic acid
CID 611602
2-[[3-(3,4-difluorophenyl)phenyl]carbamoyl]-4-(2H-triazol-4-yl)benzoic acid
CID 175860756
4-hydroxy-2,6-dioxo-N-[3-(2H-triazol-4-yl)phenyl]-1,3-diazinane-5-carboxamide
CID 155903283
3-(cyclopropylsulfonylamino)-N-[3-(2H-triazol-4-yl)phenyl]benzamide
CID 146148800
1-[3-[7-(2H-triazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 59320990
N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2H-triazole-4-carboxamide
CID 112733395
N-[3-(1-methyltetrazol-5-yl)phenyl]-2H-triazole-4-carboxamide
CID 112733195
6-(3-acetamidophenyl)pyridine-3-carboxylic acid
CID 53223644
3-[6-(3-acetamidophenyl)pyrazin-2-yl]benzoic acid
CID 126473086
[3-(2H-triazol-4-yl)phenyl] dihydrogen phosphate
CID 143400180

Frequently Asked Questions

What is the IUPAC name of [3-(2H-triazol-4-yl)phenyl]carbamic acid?
The IUPAC name of [3-(2H-triazol-4-yl)phenyl]carbamic acid (CID 69051190) is [3-(2H-triazol-4-yl)phenyl]carbamic acid.
What is the SMILES notation for [3-(2H-triazol-4-yl)phenyl]carbamic acid?
The canonical SMILES for [3-(2H-triazol-4-yl)phenyl]carbamic acid is O=C(O)Nc1cccc(-c2cn[nH]n2)c1.
What is the InChIKey of [3-(2H-triazol-4-yl)phenyl]carbamic acid?
The InChIKey is ACSPIWKYVIQGHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O2/c14-9(15)11-7-3-1-2-6(4-7)8-5-10-13-12-8/h1-5,11H,(H,14,15)(H,10,12,13).
What are the key properties of [3-(2H-triazol-4-yl)phenyl]carbamic acid?
[3-(2H-triazol-4-yl)phenyl]carbamic acid has a molecular weight of 204.19 g/mol, XLogP of 1.56, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2H-triazol-4-yl)phenyl]carbamic acid is sourced from PubChem (CID 69051190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).