N-cyclohexyl-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide

C16H23N5O — CID 20863538

IUPACN-cyclohexyl-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
SMILESCc1nc2ncnn2c(C)c1CCC(=O)NC1CCCCC1
InChIInChI=1S/C16H23N5O/c1-11-14(12(2)21-16(19-11)17-10-18-21)8-9-15(22)20-13-6-4-3-5-7-13/h10,13H,3-9H2,1-2H3,(H,20,22)
InChIKeyNMIBFJQKFYPVEO-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.12
Rot. Bonds4

About N-cyclohexyl-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide

N-cyclohexyl-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide (PubChem CID 20863538) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is N-cyclohexyl-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide.

Molecular Properties

Compound NameN-cyclohexyl-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
PubChem CID20863538
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC NameN-cyclohexyl-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
SMILESCc1nc2ncnn2c(C)c1CCC(=O)NC1CCCCC1
InChIInChI=1S/C16H23N5O/c1-11-14(12(2)21-16(19-11)17-10-18-21)8-9-15(22)20-13-6-4-3-5-7-13/h10,13H,3-9H2,1-2H3,(H,20,22)
InChIKeyNMIBFJQKFYPVEO-UHFFFAOYSA-N
XLogP2.12
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-cyclohexyl-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide 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

N-(1-benzylpiperidin-4-yl)-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 7420727
2-chloro-N-cyclohexyl-5-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoylamino]benzamide
CID 60540363
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-propan-2-ylpropanamide
CID 20863520
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(4-ethylcyclohexyl)methyl]propanamide
CID 48861803
N-cyclopentyl-3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide
CID 17445392
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[1-(furan-2-carbonyl)piperidin-3-yl]propanamide
CID 131933032
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]propanamide
CID 42593936
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride
CID 119510463
N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 55863677
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-prop-2-enylpropanamide
CID 9404425
N-butyl-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 18106246
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(1-methylimidazol-2-yl)propanamide
CID 134697018

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide?
The IUPAC name of N-cyclohexyl-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide (CID 20863538) is N-cyclohexyl-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide.
What is the SMILES notation for N-cyclohexyl-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide?
The canonical SMILES for N-cyclohexyl-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide is Cc1nc2ncnn2c(C)c1CCC(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide?
The InChIKey is NMIBFJQKFYPVEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O/c1-11-14(12(2)21-16(19-11)17-10-18-21)8-9-15(22)20-13-6-4-3-5-7-13/h10,13H,3-9H2,1-2H3,(H,20,22).
What are the key properties of N-cyclohexyl-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide?
N-cyclohexyl-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide has a molecular weight of 301.39 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide is sourced from PubChem (CID 20863538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).