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

C10H16N4O3 — CID 136926903

IUPACN-[(1-hydroxycyclohexyl)methyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
SMILESO=C(NCC1(O)CCCCC1)c1n[nH]c(=O)[nH]1
InChIInChI=1S/C10H16N4O3/c15-8(7-12-9(16)14-13-7)11-6-10(17)4-2-1-3-5-10/h17H,1-6H2,(H,11,15)(H2,12,13,14,16)
InChIKeyLAQBVILPLAJADZ-UHFFFAOYSA-N
MW240.26 g/mol
LogP-0.48
Rot. Bonds3

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

N-[(1-hydroxycyclohexyl)methyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide (PubChem CID 136926903) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is N-[(1-hydroxycyclohexyl)methyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclohexyl)methyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
PubChem CID136926903
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC NameN-[(1-hydroxycyclohexyl)methyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
SMILESO=C(NCC1(O)CCCCC1)c1n[nH]c(=O)[nH]1
InChIInChI=1S/C10H16N4O3/c15-8(7-12-9(16)14-13-7)11-6-10(17)4-2-1-3-5-10/h17H,1-6H2,(H,11,15)(H2,12,13,14,16)
InChIKeyLAQBVILPLAJADZ-UHFFFAOYSA-N
XLogP-0.48
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 ≤ 5-0.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze N-[(1-hydroxycyclohexyl)methyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[(1-hydroxycyclopentyl)methylamino]-2H-1,2,4-triazine-3,5-dione
CID 61221501
6-[(1-hydroxy-3-methylcyclohexyl)methylamino]-2H-1,2,4-triazine-3,5-dione
CID 62302339
6-[(1-hydroxycyclohexyl)methylamino]-2H-1,2,4-triazine-3,5-dione
CID 62402625
6-[(1-Hydroxycyclohexyl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 62402983
6-[(1-hydroxycycloheptyl)methylamino]-2H-1,2,4-triazine-3,5-dione
CID 64416832
6-[(1-hydroxy-4-methylcyclohexyl)methylamino]-2H-1,2,4-triazine-3,5-dione
CID 65118751
6-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]-2H-1,2,4-triazine-3,5-dione
CID 65118807
6-[(4-ethyl-1-hydroxycyclohexyl)methylamino]-2H-1,2,4-triazine-3,5-dione
CID 65120058
6-[(1-hydroxycyclopentyl)methyl-methylamino]-2H-1,2,4-triazine-3,5-dione
CID 115756189
N-(2-hydroxy-2,3-dimethylpentyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 136697108
N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 136703853
N-(2-cyclopentyl-2-hydroxyethyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 136819099

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclohexyl)methyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-[(1-hydroxycyclohexyl)methyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide (CID 136926903) is N-[(1-hydroxycyclohexyl)methyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-[(1-hydroxycyclohexyl)methyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-[(1-hydroxycyclohexyl)methyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide is O=C(NCC1(O)CCCCC1)c1n[nH]c(=O)[nH]1.
What is the InChIKey of N-[(1-hydroxycyclohexyl)methyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide?
The InChIKey is LAQBVILPLAJADZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c15-8(7-12-9(16)14-13-7)11-6-10(17)4-2-1-3-5-10/h17H,1-6H2,(H,11,15)(H2,12,13,14,16).
What are the key properties of N-[(1-hydroxycyclohexyl)methyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide?
N-[(1-hydroxycyclohexyl)methyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide has a molecular weight of 240.26 g/mol, XLogP of -0.48, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycyclohexyl)methyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 136926903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).