N-[2-(hydroxymethyl)-2-methylcyclopentyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide

C10H16N4O3 — CID 136752819

IUPACN-[2-(hydroxymethyl)-2-methylcyclopentyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
SMILESCC1(CO)CCCC1NC(=O)c1n[nH]c(=O)[nH]1
InChIInChI=1S/C10H16N4O3/c1-10(5-15)4-2-3-6(10)11-8(16)7-12-9(17)14-13-7/h6,15H,2-5H2,1H3,(H,11,16)(H2,12,13,14,17)
InChIKeyRUHWWFGXMSQEQZ-UHFFFAOYSA-N
MW240.26 g/mol
LogP-0.62
Rot. Bonds3

About N-[2-(hydroxymethyl)-2-methylcyclopentyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide

N-[2-(hydroxymethyl)-2-methylcyclopentyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide (PubChem CID 136752819) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is N-[2-(hydroxymethyl)-2-methylcyclopentyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(hydroxymethyl)-2-methylcyclopentyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
PubChem CID136752819
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC NameN-[2-(hydroxymethyl)-2-methylcyclopentyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
SMILESCC1(CO)CCCC1NC(=O)c1n[nH]c(=O)[nH]1
InChIInChI=1S/C10H16N4O3/c1-10(5-15)4-2-3-6(10)11-8(16)7-12-9(17)14-13-7/h6,15H,2-5H2,1H3,(H,11,16)(H2,12,13,14,17)
InChIKeyRUHWWFGXMSQEQZ-UHFFFAOYSA-N
XLogP-0.62
TPSA110.87 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
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

N-(3-ethoxy-2,2-diethylcyclobutyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 136226380
6-[[2-(hydroxymethyl)cyclopentyl]amino]-2H-1,2,4-triazine-3,5-dione
CID 103703715
6-[[2-(Hydroxymethyl)cyclopentyl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 103703716
N-[2-(hydroxymethyl)-2-methylcyclopentyl]-2-(3-oxo-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-2-yl)acetamide
CID 112286393
6-[[1-(hydroxymethyl)cyclopentyl]methylamino]-2H-1,2,4-triazine-3,5-dione
CID 113294055
N-[(1R,3S)-3-ethoxy-2,2-diethylcyclobutyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 136673957
N-[(1S,3S)-3-ethoxy-2,2-diethylcyclobutyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 136673958
N-[(1R,3R)-3-ethoxy-2,2-diethylcyclobutyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 136673959
N-[(1S,3R)-3-ethoxy-2,2-diethylcyclobutyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 136673960
N-(2,2-diethyl-4-hydroxybutyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 136745091
N-(1-cyclohexyl-3-hydroxypropyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 136782749
N-(1-hydroxy-4,4-dimethylpentan-2-yl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 136794898

Frequently Asked Questions

What is the IUPAC name of N-[2-(hydroxymethyl)-2-methylcyclopentyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-[2-(hydroxymethyl)-2-methylcyclopentyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide (CID 136752819) is N-[2-(hydroxymethyl)-2-methylcyclopentyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-[2-(hydroxymethyl)-2-methylcyclopentyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-[2-(hydroxymethyl)-2-methylcyclopentyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide is CC1(CO)CCCC1NC(=O)c1n[nH]c(=O)[nH]1.
What is the InChIKey of N-[2-(hydroxymethyl)-2-methylcyclopentyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide?
The InChIKey is RUHWWFGXMSQEQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-10(5-15)4-2-3-6(10)11-8(16)7-12-9(17)14-13-7/h6,15H,2-5H2,1H3,(H,11,16)(H2,12,13,14,17).
What are the key properties of N-[2-(hydroxymethyl)-2-methylcyclopentyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide?
N-[2-(hydroxymethyl)-2-methylcyclopentyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide has a molecular weight of 240.26 g/mol, XLogP of -0.62, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(hydroxymethyl)-2-methylcyclopentyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 136752819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).