N-methyl-2-[1-(methylamino)cyclohexyl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide

C14H25N5O — CID 65241314

IUPACN-methyl-2-[1-(methylamino)cyclohexyl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide
SMILESCNC1(CC(=O)N(C)Cc2n[nH]c(C)n2)CCCCC1
InChIInChI=1S/C14H25N5O/c1-11-16-12(18-17-11)10-19(3)13(20)9-14(15-2)7-5-4-6-8-14/h15H,4-10H2,1-3H3,(H,16,17,18)
InChIKeyAEOPFHCPTVJIFP-UHFFFAOYSA-N
MW279.39 g/mol
LogP1.38
Rot. Bonds5

About N-methyl-2-[1-(methylamino)cyclohexyl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide

N-methyl-2-[1-(methylamino)cyclohexyl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide (PubChem CID 65241314) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is N-methyl-2-[1-(methylamino)cyclohexyl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[1-(methylamino)cyclohexyl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide
PubChem CID65241314
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC NameN-methyl-2-[1-(methylamino)cyclohexyl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide
SMILESCNC1(CC(=O)N(C)Cc2n[nH]c(C)n2)CCCCC1
InChIInChI=1S/C14H25N5O/c1-11-16-12(18-17-11)10-19(3)13(20)9-14(15-2)7-5-4-6-8-14/h15H,4-10H2,1-3H3,(H,16,17,18)
InChIKeyAEOPFHCPTVJIFP-UHFFFAOYSA-N
XLogP1.38
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[1-(methylamino)cyclohexyl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide?
The IUPAC name of N-methyl-2-[1-(methylamino)cyclohexyl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide (CID 65241314) is N-methyl-2-[1-(methylamino)cyclohexyl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide.
What is the SMILES notation for N-methyl-2-[1-(methylamino)cyclohexyl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide?
The canonical SMILES for N-methyl-2-[1-(methylamino)cyclohexyl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide is CNC1(CC(=O)N(C)Cc2n[nH]c(C)n2)CCCCC1.
What is the InChIKey of N-methyl-2-[1-(methylamino)cyclohexyl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide?
The InChIKey is AEOPFHCPTVJIFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-11-16-12(18-17-11)10-19(3)13(20)9-14(15-2)7-5-4-6-8-14/h15H,4-10H2,1-3H3,(H,16,17,18).
What are the key properties of N-methyl-2-[1-(methylamino)cyclohexyl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide?
N-methyl-2-[1-(methylamino)cyclohexyl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide has a molecular weight of 279.39 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[1-(methylamino)cyclohexyl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide is sourced from PubChem (CID 65241314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).