2-[4-(hydroxymethyl)triazol-1-yl]-N-(4-methylcyclohexyl)acetamide

C12H20N4O2 — CID 62400544

IUPAC2-[4-(hydroxymethyl)triazol-1-yl]-N-(4-methylcyclohexyl)acetamide
SMILESCC1CCC(NC(=O)Cn2cc(CO)nn2)CC1
InChIInChI=1S/C12H20N4O2/c1-9-2-4-10(5-3-9)13-12(18)7-16-6-11(8-17)14-15-16/h6,9-10,17H,2-5,7-8H2,1H3,(H,13,18)
InChIKeyUBMQQHMNUKLAIH-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.47
Rot. Bonds4

About 2-[4-(hydroxymethyl)triazol-1-yl]-N-(4-methylcyclohexyl)acetamide

2-[4-(hydroxymethyl)triazol-1-yl]-N-(4-methylcyclohexyl)acetamide (PubChem CID 62400544) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-[4-(hydroxymethyl)triazol-1-yl]-N-(4-methylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-[4-(hydroxymethyl)triazol-1-yl]-N-(4-methylcyclohexyl)acetamide
PubChem CID62400544
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name2-[4-(hydroxymethyl)triazol-1-yl]-N-(4-methylcyclohexyl)acetamide
SMILESCC1CCC(NC(=O)Cn2cc(CO)nn2)CC1
InChIInChI=1S/C12H20N4O2/c1-9-2-4-10(5-3-9)13-12(18)7-16-6-11(8-17)14-15-16/h6,9-10,17H,2-5,7-8H2,1H3,(H,13,18)
InChIKeyUBMQQHMNUKLAIH-UHFFFAOYSA-N
XLogP0.47
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(aminomethyl)triazol-1-yl]-N-cycloheptylacetamide
CID 55029706
2-[4-(aminomethyl)triazol-1-yl]-N-cyclooctylacetamide
CID 115458881
2-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]-N-cyclopropylacetamide
CID 115458990
2-[4-[(cyclopropylamino)methyl]triazol-1-yl]-N-(oxan-4-yl)acetamide
CID 66192627
2-[4-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]piperidin-1-yl]acetamide
CID 115459189
2-[4-(aminomethyl)triazol-1-yl]-N-(2-methylcyclopentyl)acetamide
CID 115459863
4-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]-N-cyclopropylbutanamide
CID 115460101
2-[4-(aminomethyl)triazol-1-yl]-N-[2-(4-methylcyclohexyl)ethyl]acetamide
CID 115459933
N-cycloheptyl-2-[4-[(4-methylphenoxy)methyl]triazol-1-yl]acetamide
CID 138029887
2-[4-(methylaminomethyl)triazol-1-yl]-N-(2-methylcyclohexyl)acetamide
CID 66213840
2-[4-[(cyclopropylamino)methyl]triazol-1-yl]-N-ethylacetamide
CID 66193582
2-amino-3-[1-[2-(oxan-4-ylamino)-2-oxoethyl]triazol-4-yl]propanoic acid
CID 116735124

Frequently Asked Questions

What is the IUPAC name of 2-[4-(hydroxymethyl)triazol-1-yl]-N-(4-methylcyclohexyl)acetamide?
The IUPAC name of 2-[4-(hydroxymethyl)triazol-1-yl]-N-(4-methylcyclohexyl)acetamide (CID 62400544) is 2-[4-(hydroxymethyl)triazol-1-yl]-N-(4-methylcyclohexyl)acetamide.
What is the SMILES notation for 2-[4-(hydroxymethyl)triazol-1-yl]-N-(4-methylcyclohexyl)acetamide?
The canonical SMILES for 2-[4-(hydroxymethyl)triazol-1-yl]-N-(4-methylcyclohexyl)acetamide is CC1CCC(NC(=O)Cn2cc(CO)nn2)CC1.
What is the InChIKey of 2-[4-(hydroxymethyl)triazol-1-yl]-N-(4-methylcyclohexyl)acetamide?
The InChIKey is UBMQQHMNUKLAIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-9-2-4-10(5-3-9)13-12(18)7-16-6-11(8-17)14-15-16/h6,9-10,17H,2-5,7-8H2,1H3,(H,13,18).
What are the key properties of 2-[4-(hydroxymethyl)triazol-1-yl]-N-(4-methylcyclohexyl)acetamide?
2-[4-(hydroxymethyl)triazol-1-yl]-N-(4-methylcyclohexyl)acetamide has a molecular weight of 252.32 g/mol, XLogP of 0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(hydroxymethyl)triazol-1-yl]-N-(4-methylcyclohexyl)acetamide is sourced from PubChem (CID 62400544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).