[1-(4-aminocyclohexyl)triazol-4-yl]-[2-(4-methylpentyl)morpholin-4-yl]methanone

C19H33N5O2 — CID 56870107

IUPAC[1-(4-aminocyclohexyl)triazol-4-yl]-[2-(4-methylpentyl)morpholin-4-yl]methanone
SMILESCC(C)CCCC1CN(C(=O)c2cn(C3CCC(N)CC3)nn2)CCO1
InChIInChI=1S/C19H33N5O2/c1-14(2)4-3-5-17-12-23(10-11-26-17)19(25)18-13-24(22-21-18)16-8-6-15(20)7-9-16/h13-17H,3-12,20H2,1-2H3
InChIKeyJZSHQQPGSPGTGP-UHFFFAOYSA-N
MW363.51 g/mol
LogP2.39
Rot. Bonds6

About [1-(4-aminocyclohexyl)triazol-4-yl]-[2-(4-methylpentyl)morpholin-4-yl]methanone

[1-(4-aminocyclohexyl)triazol-4-yl]-[2-(4-methylpentyl)morpholin-4-yl]methanone (PubChem CID 56870107) has the molecular formula C19H33N5O2 and a molecular weight of 363.51 g/mol. Its IUPAC name is [1-(4-aminocyclohexyl)triazol-4-yl]-[2-(4-methylpentyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name[1-(4-aminocyclohexyl)triazol-4-yl]-[2-(4-methylpentyl)morpholin-4-yl]methanone
PubChem CID56870107
Molecular FormulaC19H33N5O2
Molecular Weight363.51 g/mol
Exact Mass363.26
IUPAC Name[1-(4-aminocyclohexyl)triazol-4-yl]-[2-(4-methylpentyl)morpholin-4-yl]methanone
SMILESCC(C)CCCC1CN(C(=O)c2cn(C3CCC(N)CC3)nn2)CCO1
InChIInChI=1S/C19H33N5O2/c1-14(2)4-3-5-17-12-23(10-11-26-17)19(25)18-13-24(22-21-18)16-8-6-15(20)7-9-16/h13-17H,3-12,20H2,1-2H3
InChIKeyJZSHQQPGSPGTGP-UHFFFAOYSA-N
XLogP2.39
TPSA86.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.51
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [1-(4-aminocyclohexyl)triazol-4-yl]-[2-(4-methylpentyl)morpholin-4-yl]methanone 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 [1-(4-aminocyclohexyl)triazol-4-yl]-[2-(4-methylpentyl)morpholin-4-yl]methanone?
The IUPAC name of [1-(4-aminocyclohexyl)triazol-4-yl]-[2-(4-methylpentyl)morpholin-4-yl]methanone (CID 56870107) is [1-(4-aminocyclohexyl)triazol-4-yl]-[2-(4-methylpentyl)morpholin-4-yl]methanone.
What is the SMILES notation for [1-(4-aminocyclohexyl)triazol-4-yl]-[2-(4-methylpentyl)morpholin-4-yl]methanone?
The canonical SMILES for [1-(4-aminocyclohexyl)triazol-4-yl]-[2-(4-methylpentyl)morpholin-4-yl]methanone is CC(C)CCCC1CN(C(=O)c2cn(C3CCC(N)CC3)nn2)CCO1.
What is the InChIKey of [1-(4-aminocyclohexyl)triazol-4-yl]-[2-(4-methylpentyl)morpholin-4-yl]methanone?
The InChIKey is JZSHQQPGSPGTGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N5O2/c1-14(2)4-3-5-17-12-23(10-11-26-17)19(25)18-13-24(22-21-18)16-8-6-15(20)7-9-16/h13-17H,3-12,20H2,1-2H3.
What are the key properties of [1-(4-aminocyclohexyl)triazol-4-yl]-[2-(4-methylpentyl)morpholin-4-yl]methanone?
[1-(4-aminocyclohexyl)triazol-4-yl]-[2-(4-methylpentyl)morpholin-4-yl]methanone has a molecular weight of 363.51 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-aminocyclohexyl)triazol-4-yl]-[2-(4-methylpentyl)morpholin-4-yl]methanone is sourced from PubChem (CID 56870107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).