1-(azetidin-3-yl)-N-pentan-3-yltriazole-4-carboxamide

C11H19N5O — CID 79316819

IUPAC1-(azetidin-3-yl)-N-pentan-3-yltriazole-4-carboxamide
SMILESCCC(CC)NC(=O)c1cn(C2CNC2)nn1
InChIInChI=1S/C11H19N5O/c1-3-8(4-2)13-11(17)10-7-16(15-14-10)9-5-12-6-9/h7-9,12H,3-6H2,1-2H3,(H,13,17)
InChIKeyTUKVOPSASTYEGE-UHFFFAOYSA-N
MW237.31 g/mol
LogP0.34
Rot. Bonds5

About 1-(azetidin-3-yl)-N-pentan-3-yltriazole-4-carboxamide

1-(azetidin-3-yl)-N-pentan-3-yltriazole-4-carboxamide (PubChem CID 79316819) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-N-pentan-3-yltriazole-4-carboxamide.

Molecular Properties

Compound Name1-(azetidin-3-yl)-N-pentan-3-yltriazole-4-carboxamide
PubChem CID79316819
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name1-(azetidin-3-yl)-N-pentan-3-yltriazole-4-carboxamide
SMILESCCC(CC)NC(=O)c1cn(C2CNC2)nn1
InChIInChI=1S/C11H19N5O/c1-3-8(4-2)13-11(17)10-7-16(15-14-10)9-5-12-6-9/h7-9,12H,3-6H2,1-2H3,(H,13,17)
InChIKeyTUKVOPSASTYEGE-UHFFFAOYSA-N
XLogP0.34
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(azetidin-3-yl)-N-pentan-3-yltriazole-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-(4-methylhexan-2-yl)triazole-4-carboxamide
CID 79326360
1-(azetidin-3-yl)-N-[1-oxo-1-(propylamino)propan-2-yl]triazole-4-carboxamide
CID 79316363
1-(azetidin-3-yl)-N-(6-methylheptan-2-yl)triazole-4-carboxamide
CID 79316211
1-[1-(azetidin-3-yl)triazol-4-yl]-3-ethylpentan-1-one
CID 116590705
1-(azetidin-3-yl)-N-[4-(dimethylamino)butan-2-yl]triazole-4-carboxamide
CID 79316138
methyl (2S)-2-[[1-(azetidin-3-yl)triazole-4-carbonyl]amino]-4-methylpentanoate
CID 103954754
1-(azetidin-3-yl)-N-ethoxytriazole-4-carboxamide
CID 79316945
1-(azetidin-3-yl)-N-[3-(butan-2-ylamino)-3-oxopropyl]triazole-4-carboxamide
CID 79319330
methyl 2-[[1-(azetidin-3-yl)triazole-4-carbonyl]amino]acetate
CID 79317214
1-(azetidin-3-yl)-N-(2,2,3,3-tetramethylcyclopropyl)triazole-4-carboxamide
CID 79362782
1-(azetidin-3-yl)-N-(2,2-dicyclopropylethyl)triazole-4-carboxamide
CID 79316339
1-(azetidin-3-yl)-N-[(1R)-1-(4-chlorophenyl)ethyl]triazole-4-carboxamide
CID 81356647

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-N-pentan-3-yltriazole-4-carboxamide?
The IUPAC name of 1-(azetidin-3-yl)-N-pentan-3-yltriazole-4-carboxamide (CID 79316819) is 1-(azetidin-3-yl)-N-pentan-3-yltriazole-4-carboxamide.
What is the SMILES notation for 1-(azetidin-3-yl)-N-pentan-3-yltriazole-4-carboxamide?
The canonical SMILES for 1-(azetidin-3-yl)-N-pentan-3-yltriazole-4-carboxamide is CCC(CC)NC(=O)c1cn(C2CNC2)nn1.
What is the InChIKey of 1-(azetidin-3-yl)-N-pentan-3-yltriazole-4-carboxamide?
The InChIKey is TUKVOPSASTYEGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-3-8(4-2)13-11(17)10-7-16(15-14-10)9-5-12-6-9/h7-9,12H,3-6H2,1-2H3,(H,13,17).
What are the key properties of 1-(azetidin-3-yl)-N-pentan-3-yltriazole-4-carboxamide?
1-(azetidin-3-yl)-N-pentan-3-yltriazole-4-carboxamide has a molecular weight of 237.31 g/mol, XLogP of 0.34, 5 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-pentan-3-yltriazole-4-carboxamide is sourced from PubChem (CID 79316819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).