formyl(1H-1,2,4-triazol-5-yl)carbamic acid

C4H4N4O3 — CID 174682369

IUPACformyl(1H-1,2,4-triazol-5-yl)carbamic acid
SMILESO=CN(C(=O)O)c1ncn[nH]1
InChIInChI=1S/C4H4N4O3/c9-2-8(4(10)11)3-5-1-6-7-3/h1-2H,(H,10,11)(H,5,6,7)
InChIKeyGSBSATZHOYCQDG-UHFFFAOYSA-N
MW156.10 g/mol
LogP-0.55
Rot. Bonds2

About formyl(1H-1,2,4-triazol-5-yl)carbamic acid

formyl(1H-1,2,4-triazol-5-yl)carbamic acid (PubChem CID 174682369) has the molecular formula C4H4N4O3 and a molecular weight of 156.10 g/mol. Its IUPAC name is formyl(1H-1,2,4-triazol-5-yl)carbamic acid.

Molecular Properties

Compound Nameformyl(1H-1,2,4-triazol-5-yl)carbamic acid
PubChem CID174682369
Molecular FormulaC4H4N4O3
Molecular Weight156.10 g/mol
Exact Mass156.03
IUPAC Nameformyl(1H-1,2,4-triazol-5-yl)carbamic acid
SMILESO=CN(C(=O)O)c1ncn[nH]1
InChIInChI=1S/C4H4N4O3/c9-2-8(4(10)11)3-5-1-6-7-3/h1-2H,(H,10,11)(H,5,6,7)
InChIKeyGSBSATZHOYCQDG-UHFFFAOYSA-N
XLogP-0.55
TPSA99.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.10
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-methyl-3-[2-methylpropanoyl(1H-1,2,4-triazol-5-yl)amino]propanoic acid
CID 82321065
2-(1H-1,2,4-triazol-5-yl)butanoic acid
CID 71650519
3-[(2-fluorobenzoyl)-(1H-1,2,4-triazol-5-yl)amino]propanoic acid
CID 82321614
N,N,N'-trimethyl-N'-(1H-1,2,4-triazol-5-yl)ethane-1,2-diamine
CID 118244773
6-oxo-6-(1H-1,2,4-triazol-5-ylmethylamino)hexanoic acid
CID 60978215
3-[3-cyclohexylpropanoyl(1H-1,2,4-triazol-5-yl)amino]propanoic acid
CID 82321868
N-ethyl-2-phenyl-2-pyridin-2-yl-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 68773825
sodium;hydride;1H-1,2,4-triazole-5-carboxamide
CID 173252182
N,N-diethyl-1H-1,2,4-triazole-5-carboxamide
CID 3345983
4-(1H-1,2,4-triazol-5-yl)benzoic acid
CID 6484109
3-(1H-1,2,4-triazol-5-yl)butanoic acid
CID 83389337
2-(1H-1,2,4-triazol-5-yl)hexanoic acid
CID 142767992

Frequently Asked Questions

What is the IUPAC name of formyl(1H-1,2,4-triazol-5-yl)carbamic acid?
The IUPAC name of formyl(1H-1,2,4-triazol-5-yl)carbamic acid (CID 174682369) is formyl(1H-1,2,4-triazol-5-yl)carbamic acid.
What is the SMILES notation for formyl(1H-1,2,4-triazol-5-yl)carbamic acid?
The canonical SMILES for formyl(1H-1,2,4-triazol-5-yl)carbamic acid is O=CN(C(=O)O)c1ncn[nH]1.
What is the InChIKey of formyl(1H-1,2,4-triazol-5-yl)carbamic acid?
The InChIKey is GSBSATZHOYCQDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N4O3/c9-2-8(4(10)11)3-5-1-6-7-3/h1-2H,(H,10,11)(H,5,6,7).
What are the key properties of formyl(1H-1,2,4-triazol-5-yl)carbamic acid?
formyl(1H-1,2,4-triazol-5-yl)carbamic acid has a molecular weight of 156.10 g/mol, XLogP of -0.55, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for formyl(1H-1,2,4-triazol-5-yl)carbamic acid is sourced from PubChem (CID 174682369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).