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

C5H8N4O2 — CID 56997289

IUPAC1-(1-hydroxyethyl)-1,2,4-triazole-3-carboxamide
SMILESCC(O)n1cnc(C(N)=O)n1
InChIInChI=1S/C5H8N4O2/c1-3(10)9-2-7-5(8-9)4(6)11/h2-3,10H,1H3,(H2,6,11)
InChIKeyUUARISYCFVJAKE-UHFFFAOYSA-N
MW156.15 g/mol
LogP-1.11
Rot. Bonds2

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

1-(1-hydroxyethyl)-1,2,4-triazole-3-carboxamide (PubChem CID 56997289) has the molecular formula C5H8N4O2 and a molecular weight of 156.15 g/mol. Its IUPAC name is 1-(1-hydroxyethyl)-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name1-(1-hydroxyethyl)-1,2,4-triazole-3-carboxamide
PubChem CID56997289
Molecular FormulaC5H8N4O2
Molecular Weight156.15 g/mol
Exact Mass156.06
IUPAC Name1-(1-hydroxyethyl)-1,2,4-triazole-3-carboxamide
SMILESCC(O)n1cnc(C(N)=O)n1
InChIInChI=1S/C5H8N4O2/c1-3(10)9-2-7-5(8-9)4(6)11/h2-3,10H,1H3,(H2,6,11)
InChIKeyUUARISYCFVJAKE-UHFFFAOYSA-N
XLogP-1.11
TPSA94.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.15
LogP ≤ 5-1.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxyethyl)-1,2,4-triazole-3-carboxamide?
The IUPAC name of 1-(1-hydroxyethyl)-1,2,4-triazole-3-carboxamide (CID 56997289) is 1-(1-hydroxyethyl)-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 1-(1-hydroxyethyl)-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 1-(1-hydroxyethyl)-1,2,4-triazole-3-carboxamide is CC(O)n1cnc(C(N)=O)n1.
What is the InChIKey of 1-(1-hydroxyethyl)-1,2,4-triazole-3-carboxamide?
The InChIKey is UUARISYCFVJAKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O2/c1-3(10)9-2-7-5(8-9)4(6)11/h2-3,10H,1H3,(H2,6,11).
What are the key properties of 1-(1-hydroxyethyl)-1,2,4-triazole-3-carboxamide?
1-(1-hydroxyethyl)-1,2,4-triazole-3-carboxamide has a molecular weight of 156.15 g/mol, XLogP of -1.11, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxyethyl)-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 56997289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).