2-[4-(aminomethyl)triazol-1-yl]-N-(2-hydroxycyclohexyl)-N-methylacetamide

C12H21N5O2 — CID 102631909

IUPAC2-[4-(aminomethyl)triazol-1-yl]-N-(2-hydroxycyclohexyl)-N-methylacetamide
SMILESCN(C(=O)Cn1cc(CN)nn1)C1CCCCC1O
InChIInChI=1S/C12H21N5O2/c1-16(10-4-2-3-5-11(10)18)12(19)8-17-7-9(6-13)14-15-17/h7,10-11,18H,2-6,8,13H2,1H3
InChIKeyUQNHJBNMSLMYHJ-UHFFFAOYSA-N
MW267.33 g/mol
LogP-0.50
Rot. Bonds4

About 2-[4-(aminomethyl)triazol-1-yl]-N-(2-hydroxycyclohexyl)-N-methylacetamide

2-[4-(aminomethyl)triazol-1-yl]-N-(2-hydroxycyclohexyl)-N-methylacetamide (PubChem CID 102631909) has the molecular formula C12H21N5O2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-[4-(aminomethyl)triazol-1-yl]-N-(2-hydroxycyclohexyl)-N-methylacetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)triazol-1-yl]-N-(2-hydroxycyclohexyl)-N-methylacetamide
PubChem CID102631909
Molecular FormulaC12H21N5O2
Molecular Weight267.33 g/mol
Exact Mass267.17
IUPAC Name2-[4-(aminomethyl)triazol-1-yl]-N-(2-hydroxycyclohexyl)-N-methylacetamide
SMILESCN(C(=O)Cn1cc(CN)nn1)C1CCCCC1O
InChIInChI=1S/C12H21N5O2/c1-16(10-4-2-3-5-11(10)18)12(19)8-17-7-9(6-13)14-15-17/h7,10-11,18H,2-6,8,13H2,1H3
InChIKeyUQNHJBNMSLMYHJ-UHFFFAOYSA-N
XLogP-0.50
TPSA97.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[4-(aminomethyl)triazol-1-yl]-N-(2-hydroxycyclohexyl)-N-methylacetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)triazol-1-yl]-N-(2-hydroxycyclohexyl)-N-methylacetamide?
The IUPAC name of 2-[4-(aminomethyl)triazol-1-yl]-N-(2-hydroxycyclohexyl)-N-methylacetamide (CID 102631909) is 2-[4-(aminomethyl)triazol-1-yl]-N-(2-hydroxycyclohexyl)-N-methylacetamide.
What is the SMILES notation for 2-[4-(aminomethyl)triazol-1-yl]-N-(2-hydroxycyclohexyl)-N-methylacetamide?
The canonical SMILES for 2-[4-(aminomethyl)triazol-1-yl]-N-(2-hydroxycyclohexyl)-N-methylacetamide is CN(C(=O)Cn1cc(CN)nn1)C1CCCCC1O.
What is the InChIKey of 2-[4-(aminomethyl)triazol-1-yl]-N-(2-hydroxycyclohexyl)-N-methylacetamide?
The InChIKey is UQNHJBNMSLMYHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2/c1-16(10-4-2-3-5-11(10)18)12(19)8-17-7-9(6-13)14-15-17/h7,10-11,18H,2-6,8,13H2,1H3.
What are the key properties of 2-[4-(aminomethyl)triazol-1-yl]-N-(2-hydroxycyclohexyl)-N-methylacetamide?
2-[4-(aminomethyl)triazol-1-yl]-N-(2-hydroxycyclohexyl)-N-methylacetamide has a molecular weight of 267.33 g/mol, XLogP of -0.50, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)triazol-1-yl]-N-(2-hydroxycyclohexyl)-N-methylacetamide is sourced from PubChem (CID 102631909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).