N-(2-hydroxyethyl)-1H-1,2,4-triazole-5-carboxamide

C5H8N4O2 — CID 3614694

IUPACN-(2-hydroxyethyl)-1H-1,2,4-triazole-5-carboxamide
SMILESO=C(NCCO)c1ncn[nH]1
InChIInChI=1S/C5H8N4O2/c10-2-1-6-5(11)4-7-3-8-9-4/h3,10H,1-2H2,(H,6,11)(H,7,8,9)
InChIKeyOWUCFRZOOBBVBJ-UHFFFAOYSA-N
MW156.15 g/mol
LogP-1.47
Rot. Bonds3

About N-(2-hydroxyethyl)-1H-1,2,4-triazole-5-carboxamide

N-(2-hydroxyethyl)-1H-1,2,4-triazole-5-carboxamide (PubChem CID 3614694) has the molecular formula C5H8N4O2 and a molecular weight of 156.15 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-1H-1,2,4-triazole-5-carboxamide
PubChem CID3614694
Molecular FormulaC5H8N4O2
Molecular Weight156.15 g/mol
Exact Mass156.06
IUPAC NameN-(2-hydroxyethyl)-1H-1,2,4-triazole-5-carboxamide
SMILESO=C(NCCO)c1ncn[nH]1
InChIInChI=1S/C5H8N4O2/c10-2-1-6-5(11)4-7-3-8-9-4/h3,10H,1-2H2,(H,6,11)(H,7,8,9)
InChIKeyOWUCFRZOOBBVBJ-UHFFFAOYSA-N
XLogP-1.47
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.15
LogP ≤ 5-1.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-1H-1,2,4-triazole-5-carboxamide (CID 3614694) is N-(2-hydroxyethyl)-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-1H-1,2,4-triazole-5-carboxamide is O=C(NCCO)c1ncn[nH]1.
What is the InChIKey of N-(2-hydroxyethyl)-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is OWUCFRZOOBBVBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O2/c10-2-1-6-5(11)4-7-3-8-9-4/h3,10H,1-2H2,(H,6,11)(H,7,8,9).
What are the key properties of N-(2-hydroxyethyl)-1H-1,2,4-triazole-5-carboxamide?
N-(2-hydroxyethyl)-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 156.15 g/mol, XLogP of -1.47, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 3614694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).