(Z)-N-tert-butyl-3-(1-cyclohexyltriazol-4-yl)prop-2-enamide

C15H24N4O — CID 141421813

IUPAC(Z)-N-tert-butyl-3-(1-cyclohexyltriazol-4-yl)prop-2-enamide
SMILESCC(C)(C)NC(=O)/C=C\c1cn(C2CCCCC2)nn1
InChIInChI=1S/C15H24N4O/c1-15(2,3)16-14(20)10-9-12-11-19(18-17-12)13-7-5-4-6-8-13/h9-11,13H,4-8H2,1-3H3,(H,16,20)/b10-9-
InChIKeyUKUXUJIEUYADMA-KTKRTIGZSA-N
MW276.38 g/mol
LogP2.71
Rot. Bonds3

About (Z)-N-tert-butyl-3-(1-cyclohexyltriazol-4-yl)prop-2-enamide

(Z)-N-tert-butyl-3-(1-cyclohexyltriazol-4-yl)prop-2-enamide (PubChem CID 141421813) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is (Z)-N-tert-butyl-3-(1-cyclohexyltriazol-4-yl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-N-tert-butyl-3-(1-cyclohexyltriazol-4-yl)prop-2-enamide
PubChem CID141421813
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name(Z)-N-tert-butyl-3-(1-cyclohexyltriazol-4-yl)prop-2-enamide
SMILESCC(C)(C)NC(=O)/C=C\c1cn(C2CCCCC2)nn1
InChIInChI=1S/C15H24N4O/c1-15(2,3)16-14(20)10-9-12-11-19(18-17-12)13-7-5-4-6-8-13/h9-11,13H,4-8H2,1-3H3,(H,16,20)/b10-9-
InChIKeyUKUXUJIEUYADMA-KTKRTIGZSA-N
XLogP2.71
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (Z)-N-tert-butyl-3-(1-cyclohexyltriazol-4-yl)prop-2-enamide 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

benzyl 3-(1-cyclohexyltriazol-4-yl)prop-2-enoate
CID 174931249
methyl 1-cyclohexyltriazole-4-carboxylate
CID 103689291
1-(1,3-benzodioxol-4-yl)-3-(1-cyclobutyltriazol-4-yl)prop-2-en-1-one
CID 126828561
tert-butyl 4-(4-formyltriazol-1-yl)piperidine-1-carboxylate
CID 73013691
methyl 2-(1-cyclohexyltriazol-4-yl)-3,3,3-trifluoro-2-hydroxypropanoate
CID 166341681
1-[(3S)-1-methylpiperidin-3-yl]triazole-4-carbaldehyde
CID 129495016
methyl (2S)-1-(1-cyclohexyltriazole-4-carbonyl)piperidine-2-carboxylate
CID 42355771
N-[2-(tert-butylcarbamoyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119707297
tert-butyl 3-(4-formyltriazol-1-yl)pyrrolidine-1-carboxylate
CID 121208717
cyclopentyl-[4-[4-(2-hydroxypropan-2-yl)triazol-1-yl]piperidin-1-yl]methanone
CID 46985353
N-[1-(tert-butylamino)-1-oxopropan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119748169
N-(2-cyclohexylethyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119725715

Frequently Asked Questions

What is the IUPAC name of (Z)-N-tert-butyl-3-(1-cyclohexyltriazol-4-yl)prop-2-enamide?
The IUPAC name of (Z)-N-tert-butyl-3-(1-cyclohexyltriazol-4-yl)prop-2-enamide (CID 141421813) is (Z)-N-tert-butyl-3-(1-cyclohexyltriazol-4-yl)prop-2-enamide.
What is the SMILES notation for (Z)-N-tert-butyl-3-(1-cyclohexyltriazol-4-yl)prop-2-enamide?
The canonical SMILES for (Z)-N-tert-butyl-3-(1-cyclohexyltriazol-4-yl)prop-2-enamide is CC(C)(C)NC(=O)/C=C\c1cn(C2CCCCC2)nn1.
What is the InChIKey of (Z)-N-tert-butyl-3-(1-cyclohexyltriazol-4-yl)prop-2-enamide?
The InChIKey is UKUXUJIEUYADMA-KTKRTIGZSA-N. The full InChI is InChI=1S/C15H24N4O/c1-15(2,3)16-14(20)10-9-12-11-19(18-17-12)13-7-5-4-6-8-13/h9-11,13H,4-8H2,1-3H3,(H,16,20)/b10-9-.
What are the key properties of (Z)-N-tert-butyl-3-(1-cyclohexyltriazol-4-yl)prop-2-enamide?
(Z)-N-tert-butyl-3-(1-cyclohexyltriazol-4-yl)prop-2-enamide has a molecular weight of 276.38 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-tert-butyl-3-(1-cyclohexyltriazol-4-yl)prop-2-enamide is sourced from PubChem (CID 141421813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).