N-(2-hydroxypropyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide

C6H10N4O3 — CID 137258855

IUPACN-(2-hydroxypropyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
SMILESCC(O)CNC(=O)c1n[nH]c(=O)[nH]1
InChIInChI=1S/C6H10N4O3/c1-3(11)2-7-5(12)4-8-6(13)10-9-4/h3,11H,2H2,1H3,(H,7,12)(H2,8,9,10,13)
InChIKeyYKOSBTMTYLYNNV-UHFFFAOYSA-N
MW186.17 g/mol
LogP-1.79
Rot. Bonds3

About N-(2-hydroxypropyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide

N-(2-hydroxypropyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide (PubChem CID 137258855) has the molecular formula C6H10N4O3 and a molecular weight of 186.17 g/mol. Its IUPAC name is N-(2-hydroxypropyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxypropyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
PubChem CID137258855
Molecular FormulaC6H10N4O3
Molecular Weight186.17 g/mol
Exact Mass186.08
IUPAC NameN-(2-hydroxypropyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
SMILESCC(O)CNC(=O)c1n[nH]c(=O)[nH]1
InChIInChI=1S/C6H10N4O3/c1-3(11)2-7-5(12)4-8-6(13)10-9-4/h3,11H,2H2,1H3,(H,7,12)(H2,8,9,10,13)
InChIKeyYKOSBTMTYLYNNV-UHFFFAOYSA-N
XLogP-1.79
TPSA110.87 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.17
LogP ≤ 5-1.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxypropyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-(2-hydroxypropyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide (CID 137258855) is N-(2-hydroxypropyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-(2-hydroxypropyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-(2-hydroxypropyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide is CC(O)CNC(=O)c1n[nH]c(=O)[nH]1.
What is the InChIKey of N-(2-hydroxypropyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide?
The InChIKey is YKOSBTMTYLYNNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O3/c1-3(11)2-7-5(12)4-8-6(13)10-9-4/h3,11H,2H2,1H3,(H,7,12)(H2,8,9,10,13).
What are the key properties of N-(2-hydroxypropyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide?
N-(2-hydroxypropyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide has a molecular weight of 186.17 g/mol, XLogP of -1.79, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxypropyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 137258855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).