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

C10H16N4O3 — CID 136819099

IUPACN-(2-cyclopentyl-2-hydroxyethyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
SMILESO=C(NCC(O)C1CCCC1)c1n[nH]c(=O)[nH]1
InChIInChI=1S/C10H16N4O3/c15-7(6-3-1-2-4-6)5-11-9(16)8-12-10(17)14-13-8/h6-7,15H,1-5H2,(H,11,16)(H2,12,13,14,17)
InChIKeyCCQNGVAPYZUAGK-UHFFFAOYSA-N
MW240.26 g/mol
LogP-0.62
Rot. Bonds4

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

N-(2-cyclopentyl-2-hydroxyethyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide (PubChem CID 136819099) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is N-(2-cyclopentyl-2-hydroxyethyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-cyclopentyl-2-hydroxyethyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
PubChem CID136819099
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC NameN-(2-cyclopentyl-2-hydroxyethyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
SMILESO=C(NCC(O)C1CCCC1)c1n[nH]c(=O)[nH]1
InChIInChI=1S/C10H16N4O3/c15-7(6-3-1-2-4-6)5-11-9(16)8-12-10(17)14-13-8/h6-7,15H,1-5H2,(H,11,16)(H2,12,13,14,17)
InChIKeyCCQNGVAPYZUAGK-UHFFFAOYSA-N
XLogP-0.62
TPSA110.87 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-0.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(2-hydroxycyclopentyl)methylamino]-2H-1,2,4-triazine-3,5-dione
CID 65836135
N-(3-ethyl-2-hydroxypentyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 136703856
N-[2-(hydroxymethyl)-2-methylcyclopentyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 136752819
N-(2-hydroxy-4-methylpentyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 136752827
N-(1-cyclohexyl-3-hydroxypropyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 136782749
N-[2-(hydroxymethyl)cyclohexyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 136794910
N-[(1-hydroxycyclohexyl)methyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 136926903

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentyl-2-hydroxyethyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-(2-cyclopentyl-2-hydroxyethyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide (CID 136819099) is N-(2-cyclopentyl-2-hydroxyethyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-(2-cyclopentyl-2-hydroxyethyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-(2-cyclopentyl-2-hydroxyethyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide is O=C(NCC(O)C1CCCC1)c1n[nH]c(=O)[nH]1.
What is the InChIKey of N-(2-cyclopentyl-2-hydroxyethyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide?
The InChIKey is CCQNGVAPYZUAGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c15-7(6-3-1-2-4-6)5-11-9(16)8-12-10(17)14-13-8/h6-7,15H,1-5H2,(H,11,16)(H2,12,13,14,17).
What are the key properties of N-(2-cyclopentyl-2-hydroxyethyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide?
N-(2-cyclopentyl-2-hydroxyethyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide has a molecular weight of 240.26 g/mol, XLogP of -0.62, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentyl-2-hydroxyethyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 136819099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).