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

C14H25N5O — CID 80682784

IUPAC2-[1-(methylamino)cyclohexyl]-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]acetamide
SMILESCNC1(CC(=O)NCCc2ncn(C)n2)CCCCC1
InChIInChI=1S/C14H25N5O/c1-15-14(7-4-3-5-8-14)10-13(20)16-9-6-12-17-11-19(2)18-12/h11,15H,3-10H2,1-2H3,(H,16,20)
InChIKeyHVFDGDCDWDTTGR-UHFFFAOYSA-N
MW279.39 g/mol
LogP0.79
Rot. Bonds6

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

2-[1-(methylamino)cyclohexyl]-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]acetamide (PubChem CID 80682784) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is 2-[1-(methylamino)cyclohexyl]-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[1-(methylamino)cyclohexyl]-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]acetamide
PubChem CID80682784
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC Name2-[1-(methylamino)cyclohexyl]-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]acetamide
SMILESCNC1(CC(=O)NCCc2ncn(C)n2)CCCCC1
InChIInChI=1S/C14H25N5O/c1-15-14(7-4-3-5-8-14)10-13(20)16-9-6-12-17-11-19(2)18-12/h11,15H,3-10H2,1-2H3,(H,16,20)
InChIKeyHVFDGDCDWDTTGR-UHFFFAOYSA-N
XLogP0.79
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(methylamino)cyclohexyl]-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]acetamide?
The IUPAC name of 2-[1-(methylamino)cyclohexyl]-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]acetamide (CID 80682784) is 2-[1-(methylamino)cyclohexyl]-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-[1-(methylamino)cyclohexyl]-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]acetamide?
The canonical SMILES for 2-[1-(methylamino)cyclohexyl]-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]acetamide is CNC1(CC(=O)NCCc2ncn(C)n2)CCCCC1.
What is the InChIKey of 2-[1-(methylamino)cyclohexyl]-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]acetamide?
The InChIKey is HVFDGDCDWDTTGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-15-14(7-4-3-5-8-14)10-13(20)16-9-6-12-17-11-19(2)18-12/h11,15H,3-10H2,1-2H3,(H,16,20).
What are the key properties of 2-[1-(methylamino)cyclohexyl]-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]acetamide?
2-[1-(methylamino)cyclohexyl]-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]acetamide has a molecular weight of 279.39 g/mol, XLogP of 0.79, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(methylamino)cyclohexyl]-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]acetamide is sourced from PubChem (CID 80682784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).