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

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Related Compounds

2-[4-(aminomethyl)triazol-1-yl]-N-cyclopropyl-N-methylacetamide
CID 62055546
2-[4-(aminomethyl)triazol-1-yl]-N-cyclopentyl-N-ethylacetamide
CID 113314068
2-[4-(aminomethyl)triazol-1-yl]-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 62053957
2-[4-(aminomethyl)triazol-1-yl]-N,N-diethylacetamide
CID 62055542
2-[4-(aminomethyl)triazol-1-yl]-N-ethyl-N-methylacetamide
CID 62053781
2-[4-(3-aminopropyl)triazol-1-yl]-N-cyclopropyl-N-methylacetamide
CID 106221307
2-[4-(aminomethyl)triazol-1-yl]-N,N-dipropylacetamide
CID 62053642
2-[4-(aminomethyl)triazol-1-yl]-1-cyclobutylethanone
CID 116599888
2-[4-(aminomethyl)triazol-1-yl]-N-methyl-N-(2-methylbutan-2-yl)acetamide
CID 113314194
2-[4-(aminomethyl)triazol-1-yl]-N-[2-(dimethylamino)ethyl]-N-propylacetamide
CID 115459734
2-[4-(aminomethyl)triazol-1-yl]-N-[2-[cyclopentyl(methyl)amino]ethyl]acetamide
CID 115459869
2-[4-(aminomethyl)triazol-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 113314088

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).