2-(1-aminocyclohexyl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]acetamide

C13H23N5O — CID 80682533

IUPAC2-(1-aminocyclohexyl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]acetamide
SMILESCn1cnc(CCNC(=O)CC2(N)CCCCC2)n1
InChIInChI=1S/C13H23N5O/c1-18-10-16-11(17-18)5-8-15-12(19)9-13(14)6-3-2-4-7-13/h10H,2-9,14H2,1H3,(H,15,19)
InChIKeyJMSFWPAKMNDFNJ-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.53
Rot. Bonds5

About 2-(1-aminocyclohexyl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]acetamide

2-(1-aminocyclohexyl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]acetamide (PubChem CID 80682533) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-(1-aminocyclohexyl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(1-aminocyclohexyl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]acetamide
PubChem CID80682533
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name2-(1-aminocyclohexyl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]acetamide
SMILESCn1cnc(CCNC(=O)CC2(N)CCCCC2)n1
InChIInChI=1S/C13H23N5O/c1-18-10-16-11(17-18)5-8-15-12(19)9-13(14)6-3-2-4-7-13/h10H,2-9,14H2,1H3,(H,15,19)
InChIKeyJMSFWPAKMNDFNJ-UHFFFAOYSA-N
XLogP0.53
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclohexyl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]acetamide?
The IUPAC name of 2-(1-aminocyclohexyl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]acetamide (CID 80682533) is 2-(1-aminocyclohexyl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-(1-aminocyclohexyl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]acetamide?
The canonical SMILES for 2-(1-aminocyclohexyl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]acetamide is Cn1cnc(CCNC(=O)CC2(N)CCCCC2)n1.
What is the InChIKey of 2-(1-aminocyclohexyl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]acetamide?
The InChIKey is JMSFWPAKMNDFNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-18-10-16-11(17-18)5-8-15-12(19)9-13(14)6-3-2-4-7-13/h10H,2-9,14H2,1H3,(H,15,19).
What are the key properties of 2-(1-aminocyclohexyl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]acetamide?
2-(1-aminocyclohexyl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]acetamide has a molecular weight of 265.36 g/mol, XLogP of 0.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclohexyl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]acetamide is sourced from PubChem (CID 80682533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).