trans-(1S,2S)-2-(4-propan-2-ylphenyl)-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)cyclopropane-1-carboxamide

C18H19N5O — CID 95774502

IUPACtrans-(1S,2S)-2-(4-propan-2-ylphenyl)-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)cyclopropane-1-carboxamide
SMILESCC(C)c1ccc([C@H]2C[C@@H]2C(=O)Nc2nc3ncccn3n2)cc1
InChIInChI=1S/C18H19N5O/c1-11(2)12-4-6-13(7-5-12)14-10-15(14)16(24)20-17-21-18-19-8-3-9-23(18)22-17/h3-9,11,14-15H,10H2,1-2H3,(H,20,22,24)/t14-,15+/m1/s1
InChIKeyGCUCYNIPURSSBP-CABCVRRESA-N
MW321.38 g/mol
LogP2.99
Rot. Bonds4

About trans-(1S,2S)-2-(4-propan-2-ylphenyl)-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)cyclopropane-1-carboxamide

trans-(1S,2S)-2-(4-propan-2-ylphenyl)-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)cyclopropane-1-carboxamide (PubChem CID 95774502) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is trans-(1S,2S)-2-(4-propan-2-ylphenyl)-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-2-(4-propan-2-ylphenyl)-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)cyclopropane-1-carboxamide
PubChem CID95774502
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Nametrans-(1S,2S)-2-(4-propan-2-ylphenyl)-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)cyclopropane-1-carboxamide
SMILESCC(C)c1ccc([C@H]2C[C@@H]2C(=O)Nc2nc3ncccn3n2)cc1
InChIInChI=1S/C18H19N5O/c1-11(2)12-4-6-13(7-5-12)14-10-15(14)16(24)20-17-21-18-19-8-3-9-23(18)22-17/h3-9,11,14-15H,10H2,1-2H3,(H,20,22,24)/t14-,15+/m1/s1
InChIKeyGCUCYNIPURSSBP-CABCVRRESA-N
XLogP2.99
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze trans-(1S,2S)-2-(4-propan-2-ylphenyl)-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)cyclopropane-1-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

(2R)-2-[(1S,3R)-3-methylcyclohexyl]oxy-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanamide
CID 99104146
N-[2-(methylamino)ethyl]-2-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide
CID 119500317
1-(4-fluorophenyl)-5-oxo-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)pyrrolidine-3-carboxamide
CID 56803289
(3R)-1-(4-fluorophenyl)-5-oxo-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)pyrrolidine-3-carboxamide
CID 95614324
2-(4-chlorophenyl)-N-(1-methylpyrazol-3-yl)cyclopropane-1-carboxamide
CID 19405064
cis-(1S,2R)-2-(3-chlorophenyl)-N-pyrimidin-2-ylcyclopropane-1-carboxamide
CID 124885257
N-(3-aminobutyl)-2-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide
CID 119495241
N-(4-aminocyclohexyl)-2-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119474817
N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]-2-phenylcyclopropane-1-carboxamide
CID 110280040
cis-(1S,2R)-2-(4-bromophenyl)-N-(1-methylpyrazol-3-yl)cyclopropane-1-carboxamide
CID 94814319
N-(2-aminoethyl)-2-[[2-(4-propan-2-ylphenyl)cyclopropanecarbonyl]amino]benzamide;hydrochloride
CID 120603943
cis-(1R,2S)-2-(4-fluorophenyl)-N-[1-(2-methylpropyl)imidazol-2-yl]cyclopropane-1-carboxamide
CID 95153281

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-(4-propan-2-ylphenyl)-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)cyclopropane-1-carboxamide?
The IUPAC name of trans-(1S,2S)-2-(4-propan-2-ylphenyl)-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)cyclopropane-1-carboxamide (CID 95774502) is trans-(1S,2S)-2-(4-propan-2-ylphenyl)-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1S,2S)-2-(4-propan-2-ylphenyl)-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1S,2S)-2-(4-propan-2-ylphenyl)-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)cyclopropane-1-carboxamide is CC(C)c1ccc([C@H]2C[C@@H]2C(=O)Nc2nc3ncccn3n2)cc1.
What is the InChIKey of trans-(1S,2S)-2-(4-propan-2-ylphenyl)-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)cyclopropane-1-carboxamide?
The InChIKey is GCUCYNIPURSSBP-CABCVRRESA-N. The full InChI is InChI=1S/C18H19N5O/c1-11(2)12-4-6-13(7-5-12)14-10-15(14)16(24)20-17-21-18-19-8-3-9-23(18)22-17/h3-9,11,14-15H,10H2,1-2H3,(H,20,22,24)/t14-,15+/m1/s1.
What are the key properties of trans-(1S,2S)-2-(4-propan-2-ylphenyl)-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)cyclopropane-1-carboxamide?
trans-(1S,2S)-2-(4-propan-2-ylphenyl)-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)cyclopropane-1-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-(4-propan-2-ylphenyl)-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 95774502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).