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

C12H20N4O2 — CID 106137470

IUPAC5-ethyl-N-[(4-hydroxycyclohexyl)methyl]-1H-1,2,4-triazole-3-carboxamide
SMILESCCc1nc(C(=O)NCC2CCC(O)CC2)n[nH]1
InChIInChI=1S/C12H20N4O2/c1-2-10-14-11(16-15-10)12(18)13-7-8-3-5-9(17)6-4-8/h8-9,17H,2-7H2,1H3,(H,13,18)(H,14,15,16)
InChIKeyUAGDTYWYJISKKT-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.65
Rot. Bonds4

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

5-ethyl-N-[(4-hydroxycyclohexyl)methyl]-1H-1,2,4-triazole-3-carboxamide (PubChem CID 106137470) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 5-ethyl-N-[(4-hydroxycyclohexyl)methyl]-1H-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-[(4-hydroxycyclohexyl)methyl]-1H-1,2,4-triazole-3-carboxamide
PubChem CID106137470
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name5-ethyl-N-[(4-hydroxycyclohexyl)methyl]-1H-1,2,4-triazole-3-carboxamide
SMILESCCc1nc(C(=O)NCC2CCC(O)CC2)n[nH]1
InChIInChI=1S/C12H20N4O2/c1-2-10-14-11(16-15-10)12(18)13-7-8-3-5-9(17)6-4-8/h8-9,17H,2-7H2,1H3,(H,13,18)(H,14,15,16)
InChIKeyUAGDTYWYJISKKT-UHFFFAOYSA-N
XLogP0.65
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-hydroxycyclopentyl)methyl]-5-propan-2-yl-1H-1,2,4-triazole-3-carboxamide
CID 106137453
N-(3-cyclopentylpropyl)-5-ethyl-1H-1,2,4-triazole-3-carboxamide
CID 114137118
5-ethyl-N-(2-pyrrolidin-2-ylethyl)-1H-1,2,4-triazole-3-carboxamide
CID 114793921
5-ethyl-N-(4-hydroxybutyl)-1H-1,2,4-triazole-3-carboxamide
CID 106844104
5-ethyl-N-(5-hydroxypentyl)-1H-1,2,4-triazole-3-carboxamide
CID 107319568
N-[(4-hydroxycyclohexyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 106121318
N-[[1-(dimethylamino)cyclobutyl]methyl]-5-ethyl-1H-1,2,4-triazole-3-carboxamide
CID 105420046
5-methyl-N-(pyrrolidin-3-ylmethyl)-1H-1,2,4-triazole-3-carboxamide
CID 80564288
N-(2,3-dimethoxypropyl)-5-ethyl-1H-1,2,4-triazole-3-carboxamide
CID 114101659
5-ethyl-N-[(3S)-piperidin-3-yl]-1H-1,2,4-triazole-3-carboxamide
CID 104982379
5-ethyl-N-(2-hydroxy-4-methylpentyl)-1H-1,2,4-triazole-3-carboxamide
CID 107155420
5-ethyl-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1H-1,2,4-triazole-3-carboxamide
CID 114180836

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[(4-hydroxycyclohexyl)methyl]-1H-1,2,4-triazole-3-carboxamide?
The IUPAC name of 5-ethyl-N-[(4-hydroxycyclohexyl)methyl]-1H-1,2,4-triazole-3-carboxamide (CID 106137470) is 5-ethyl-N-[(4-hydroxycyclohexyl)methyl]-1H-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 5-ethyl-N-[(4-hydroxycyclohexyl)methyl]-1H-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 5-ethyl-N-[(4-hydroxycyclohexyl)methyl]-1H-1,2,4-triazole-3-carboxamide is CCc1nc(C(=O)NCC2CCC(O)CC2)n[nH]1.
What is the InChIKey of 5-ethyl-N-[(4-hydroxycyclohexyl)methyl]-1H-1,2,4-triazole-3-carboxamide?
The InChIKey is UAGDTYWYJISKKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-2-10-14-11(16-15-10)12(18)13-7-8-3-5-9(17)6-4-8/h8-9,17H,2-7H2,1H3,(H,13,18)(H,14,15,16).
What are the key properties of 5-ethyl-N-[(4-hydroxycyclohexyl)methyl]-1H-1,2,4-triazole-3-carboxamide?
5-ethyl-N-[(4-hydroxycyclohexyl)methyl]-1H-1,2,4-triazole-3-carboxamide has a molecular weight of 252.32 g/mol, XLogP of 0.65, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[(4-hydroxycyclohexyl)methyl]-1H-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 106137470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).