1-(azetidin-3-yl)-N-(7-methyloctyl)triazole-4-carboxamide

C15H27N5O — CID 79318894

IUPAC1-(azetidin-3-yl)-N-(7-methyloctyl)triazole-4-carboxamide
SMILESCC(C)CCCCCCNC(=O)c1cn(C2CNC2)nn1
InChIInChI=1S/C15H27N5O/c1-12(2)7-5-3-4-6-8-17-15(21)14-11-20(19-18-14)13-9-16-10-13/h11-13,16H,3-10H2,1-2H3,(H,17,21)
InChIKeyHMCNOURCSRPIBG-UHFFFAOYSA-N
MW293.41 g/mol
LogP1.76
Rot. Bonds9

About 1-(azetidin-3-yl)-N-(7-methyloctyl)triazole-4-carboxamide

1-(azetidin-3-yl)-N-(7-methyloctyl)triazole-4-carboxamide (PubChem CID 79318894) has the molecular formula C15H27N5O and a molecular weight of 293.41 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-N-(7-methyloctyl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-(azetidin-3-yl)-N-(7-methyloctyl)triazole-4-carboxamide
PubChem CID79318894
Molecular FormulaC15H27N5O
Molecular Weight293.41 g/mol
Exact Mass293.22
IUPAC Name1-(azetidin-3-yl)-N-(7-methyloctyl)triazole-4-carboxamide
SMILESCC(C)CCCCCCNC(=O)c1cn(C2CNC2)nn1
InChIInChI=1S/C15H27N5O/c1-12(2)7-5-3-4-6-8-17-15(21)14-11-20(19-18-14)13-9-16-10-13/h11-13,16H,3-10H2,1-2H3,(H,17,21)
InChIKeyHMCNOURCSRPIBG-UHFFFAOYSA-N
XLogP1.76
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-(azetidin-3-yl)-N-(7-methyloctyl)triazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(azetidin-3-yl)-N-(6-methylheptan-2-yl)triazole-4-carboxamide
CID 79316211
1-(azetidin-3-yl)-N-(3-methoxypropyl)triazole-4-carboxamide
CID 79316040
4-[[1-(azetidin-3-yl)triazole-4-carbonyl]amino]-2-hydroxybutanoic acid
CID 107836254
1-(azetidin-3-yl)-N-[3-(butan-2-ylamino)-3-oxopropyl]triazole-4-carboxamide
CID 79319330
N-(6-hydroxyhexyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 107842557
1-(azetidin-3-yl)-N-(2-hydroxy-2,4-dimethylpentyl)triazole-4-carboxamide
CID 79326027
methyl 2-[[1-(azetidin-3-yl)triazole-4-carbonyl]amino]acetate
CID 79317214
1-(azetidin-3-yl)-N-cyclopropyl-N-(2-methylpropyl)triazole-4-carboxamide
CID 79316126
methyl (2S)-2-[[1-(azetidin-3-yl)triazole-4-carbonyl]amino]-4-methylpentanoate
CID 103954754
1-(azetidin-3-yl)-N-[1-oxo-1-(propylamino)propan-2-yl]triazole-4-carboxamide
CID 79316363
1-(azetidin-3-yl)-N-[4-(dimethylamino)butan-2-yl]triazole-4-carboxamide
CID 79316138
1-(azetidin-3-yl)-N-(2,2-dicyclopropylethyl)triazole-4-carboxamide
CID 79316339

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-N-(7-methyloctyl)triazole-4-carboxamide?
The IUPAC name of 1-(azetidin-3-yl)-N-(7-methyloctyl)triazole-4-carboxamide (CID 79318894) is 1-(azetidin-3-yl)-N-(7-methyloctyl)triazole-4-carboxamide.
What is the SMILES notation for 1-(azetidin-3-yl)-N-(7-methyloctyl)triazole-4-carboxamide?
The canonical SMILES for 1-(azetidin-3-yl)-N-(7-methyloctyl)triazole-4-carboxamide is CC(C)CCCCCCNC(=O)c1cn(C2CNC2)nn1.
What is the InChIKey of 1-(azetidin-3-yl)-N-(7-methyloctyl)triazole-4-carboxamide?
The InChIKey is HMCNOURCSRPIBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O/c1-12(2)7-5-3-4-6-8-17-15(21)14-11-20(19-18-14)13-9-16-10-13/h11-13,16H,3-10H2,1-2H3,(H,17,21).
What are the key properties of 1-(azetidin-3-yl)-N-(7-methyloctyl)triazole-4-carboxamide?
1-(azetidin-3-yl)-N-(7-methyloctyl)triazole-4-carboxamide has a molecular weight of 293.41 g/mol, XLogP of 1.76, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-yl)-N-(7-methyloctyl)triazole-4-carboxamide is sourced from PubChem (CID 79318894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).