N-(1-hydroxyethyl)-1,2,4-triazole-1-carboxamide

C5H8N4O2 — CID 57081414

IUPACN-(1-hydroxyethyl)-1,2,4-triazole-1-carboxamide
SMILESCC(O)NC(=O)n1cncn1
InChIInChI=1S/C5H8N4O2/c1-4(10)8-5(11)9-3-6-2-7-9/h2-4,10H,1H3,(H,8,11)
InChIKeyBMQWMKXSLJGQKB-UHFFFAOYSA-N
MW156.15 g/mol
LogP-0.83
Rot. Bonds1

About N-(1-hydroxyethyl)-1,2,4-triazole-1-carboxamide

N-(1-hydroxyethyl)-1,2,4-triazole-1-carboxamide (PubChem CID 57081414) has the molecular formula C5H8N4O2 and a molecular weight of 156.15 g/mol. Its IUPAC name is N-(1-hydroxyethyl)-1,2,4-triazole-1-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxyethyl)-1,2,4-triazole-1-carboxamide
PubChem CID57081414
Molecular FormulaC5H8N4O2
Molecular Weight156.15 g/mol
Exact Mass156.06
IUPAC NameN-(1-hydroxyethyl)-1,2,4-triazole-1-carboxamide
SMILESCC(O)NC(=O)n1cncn1
InChIInChI=1S/C5H8N4O2/c1-4(10)8-5(11)9-3-6-2-7-9/h2-4,10H,1H3,(H,8,11)
InChIKeyBMQWMKXSLJGQKB-UHFFFAOYSA-N
XLogP-0.83
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.15
LogP ≤ 5-0.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxyethyl)-1,2,4-triazole-1-carboxamide?
The IUPAC name of N-(1-hydroxyethyl)-1,2,4-triazole-1-carboxamide (CID 57081414) is N-(1-hydroxyethyl)-1,2,4-triazole-1-carboxamide.
What is the SMILES notation for N-(1-hydroxyethyl)-1,2,4-triazole-1-carboxamide?
The canonical SMILES for N-(1-hydroxyethyl)-1,2,4-triazole-1-carboxamide is CC(O)NC(=O)n1cncn1.
What is the InChIKey of N-(1-hydroxyethyl)-1,2,4-triazole-1-carboxamide?
The InChIKey is BMQWMKXSLJGQKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O2/c1-4(10)8-5(11)9-3-6-2-7-9/h2-4,10H,1H3,(H,8,11).
What are the key properties of N-(1-hydroxyethyl)-1,2,4-triazole-1-carboxamide?
N-(1-hydroxyethyl)-1,2,4-triazole-1-carboxamide has a molecular weight of 156.15 g/mol, XLogP of -0.83, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxyethyl)-1,2,4-triazole-1-carboxamide is sourced from PubChem (CID 57081414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).