1-(cyclohexylmethyl)-N-methyl-N-(4-morpholin-4-ylbutyl)triazole-4-carboxamide

C19H33N5O2 — CID 25280284

IUPAC1-(cyclohexylmethyl)-N-methyl-N-(4-morpholin-4-ylbutyl)triazole-4-carboxamide
SMILESCN(CCCCN1CCOCC1)C(=O)c1cn(CC2CCCCC2)nn1
InChIInChI=1S/C19H33N5O2/c1-22(9-5-6-10-23-11-13-26-14-12-23)19(25)18-16-24(21-20-18)15-17-7-3-2-4-8-17/h16-17H,2-15H2,1H3
InChIKeyQYCXFWRGDMSGHO-UHFFFAOYSA-N
MW363.51 g/mol
LogP2.04
Rot. Bonds8

About 1-(cyclohexylmethyl)-N-methyl-N-(4-morpholin-4-ylbutyl)triazole-4-carboxamide

1-(cyclohexylmethyl)-N-methyl-N-(4-morpholin-4-ylbutyl)triazole-4-carboxamide (PubChem CID 25280284) has the molecular formula C19H33N5O2 and a molecular weight of 363.51 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-N-methyl-N-(4-morpholin-4-ylbutyl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-N-methyl-N-(4-morpholin-4-ylbutyl)triazole-4-carboxamide
PubChem CID25280284
Molecular FormulaC19H33N5O2
Molecular Weight363.51 g/mol
Exact Mass363.26
IUPAC Name1-(cyclohexylmethyl)-N-methyl-N-(4-morpholin-4-ylbutyl)triazole-4-carboxamide
SMILESCN(CCCCN1CCOCC1)C(=O)c1cn(CC2CCCCC2)nn1
InChIInChI=1S/C19H33N5O2/c1-22(9-5-6-10-23-11-13-26-14-12-23)19(25)18-16-24(21-20-18)15-17-7-3-2-4-8-17/h16-17H,2-15H2,1H3
InChIKeyQYCXFWRGDMSGHO-UHFFFAOYSA-N
XLogP2.04
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.51
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-N-methyl-N-(4-morpholin-4-ylbutyl)triazole-4-carboxamide?
The IUPAC name of 1-(cyclohexylmethyl)-N-methyl-N-(4-morpholin-4-ylbutyl)triazole-4-carboxamide (CID 25280284) is 1-(cyclohexylmethyl)-N-methyl-N-(4-morpholin-4-ylbutyl)triazole-4-carboxamide.
What is the SMILES notation for 1-(cyclohexylmethyl)-N-methyl-N-(4-morpholin-4-ylbutyl)triazole-4-carboxamide?
The canonical SMILES for 1-(cyclohexylmethyl)-N-methyl-N-(4-morpholin-4-ylbutyl)triazole-4-carboxamide is CN(CCCCN1CCOCC1)C(=O)c1cn(CC2CCCCC2)nn1.
What is the InChIKey of 1-(cyclohexylmethyl)-N-methyl-N-(4-morpholin-4-ylbutyl)triazole-4-carboxamide?
The InChIKey is QYCXFWRGDMSGHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N5O2/c1-22(9-5-6-10-23-11-13-26-14-12-23)19(25)18-16-24(21-20-18)15-17-7-3-2-4-8-17/h16-17H,2-15H2,1H3.
What are the key properties of 1-(cyclohexylmethyl)-N-methyl-N-(4-morpholin-4-ylbutyl)triazole-4-carboxamide?
1-(cyclohexylmethyl)-N-methyl-N-(4-morpholin-4-ylbutyl)triazole-4-carboxamide has a molecular weight of 363.51 g/mol, XLogP of 2.04, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-N-methyl-N-(4-morpholin-4-ylbutyl)triazole-4-carboxamide is sourced from PubChem (CID 25280284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).