1-(hydroxymethyl)-1,2,4-triazole-3-carboxamide

C4H6N4O2 — CID 57049753

IUPAC1-(hydroxymethyl)-1,2,4-triazole-3-carboxamide
SMILESNC(=O)c1ncn(CO)n1
InChIInChI=1S/C4H6N4O2/c5-3(10)4-6-1-8(2-9)7-4/h1,9H,2H2,(H2,5,10)
InChIKeyQPZLDZNORYAQPG-UHFFFAOYSA-N
MW142.12 g/mol
LogP-1.67
Rot. Bonds2

About 1-(hydroxymethyl)-1,2,4-triazole-3-carboxamide

1-(hydroxymethyl)-1,2,4-triazole-3-carboxamide (PubChem CID 57049753) has the molecular formula C4H6N4O2 and a molecular weight of 142.12 g/mol. Its IUPAC name is 1-(hydroxymethyl)-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name1-(hydroxymethyl)-1,2,4-triazole-3-carboxamide
PubChem CID57049753
Molecular FormulaC4H6N4O2
Molecular Weight142.12 g/mol
Exact Mass142.05
IUPAC Name1-(hydroxymethyl)-1,2,4-triazole-3-carboxamide
SMILESNC(=O)c1ncn(CO)n1
InChIInChI=1S/C4H6N4O2/c5-3(10)4-6-1-8(2-9)7-4/h1,9H,2H2,(H2,5,10)
InChIKeyQPZLDZNORYAQPG-UHFFFAOYSA-N
XLogP-1.67
TPSA94.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.12
LogP ≤ 5-1.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(hydroxymethyl)-1,2,4-triazole-3-carboxamide?
The IUPAC name of 1-(hydroxymethyl)-1,2,4-triazole-3-carboxamide (CID 57049753) is 1-(hydroxymethyl)-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 1-(hydroxymethyl)-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 1-(hydroxymethyl)-1,2,4-triazole-3-carboxamide is NC(=O)c1ncn(CO)n1.
What is the InChIKey of 1-(hydroxymethyl)-1,2,4-triazole-3-carboxamide?
The InChIKey is QPZLDZNORYAQPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N4O2/c5-3(10)4-6-1-8(2-9)7-4/h1,9H,2H2,(H2,5,10).
What are the key properties of 1-(hydroxymethyl)-1,2,4-triazole-3-carboxamide?
1-(hydroxymethyl)-1,2,4-triazole-3-carboxamide has a molecular weight of 142.12 g/mol, XLogP of -1.67, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(hydroxymethyl)-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 57049753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).