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

C21H25N5O — CID 32589926

IUPACN-cyclopropyl-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(4-methylphenyl)methyl]propanamide
SMILESCc1ccc(CN(C(=O)CCc2c(C)nc3ncnn3c2C)C2CC2)cc1
InChIInChI=1S/C21H25N5O/c1-14-4-6-17(7-5-14)12-25(18-8-9-18)20(27)11-10-19-15(2)24-21-22-13-23-26(21)16(19)3/h4-7,13,18H,8-12H2,1-3H3
InChIKeyGUXBMSGCXOIROB-UHFFFAOYSA-N
MW363.47 g/mol
LogP3.17
Rot. Bonds6

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

N-cyclopropyl-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(4-methylphenyl)methyl]propanamide (PubChem CID 32589926) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is N-cyclopropyl-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(4-methylphenyl)methyl]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(4-methylphenyl)methyl]propanamide
PubChem CID32589926
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC NameN-cyclopropyl-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(4-methylphenyl)methyl]propanamide
SMILESCc1ccc(CN(C(=O)CCc2c(C)nc3ncnn3c2C)C2CC2)cc1
InChIInChI=1S/C21H25N5O/c1-14-4-6-17(7-5-14)12-25(18-8-9-18)20(27)11-10-19-15(2)24-21-22-13-23-26(21)16(19)3/h4-7,13,18H,8-12H2,1-3H3
InChIKeyGUXBMSGCXOIROB-UHFFFAOYSA-N
XLogP3.17
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(4-ethylphenyl)methyl]-N-methylpropanamide
CID 39757211
N-benzyl-N-(1-cyclopropylethyl)-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 55557536
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(4-ethoxyphenyl)methyl]-N-methylpropanamide
CID 18113388
N-benzyl-N-cyclopropyl-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 38252510
N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 34075902
3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]propanamide
CID 55622541
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N'-ethyl-N'-(4-methylphenyl)propanehydrazide
CID 9182840
N-cyclopropyl-N-[(3-methylphenyl)methyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 86925475
[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl] 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetate
CID 8819714
N-cyclohexyl-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 20863538
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(5-methyl-2-pyridinyl)propanamide
CID 3241346
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(4-methylphenyl)-phenylmethyl]propanamide
CID 51184872

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(4-methylphenyl)methyl]propanamide?
The IUPAC name of N-cyclopropyl-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(4-methylphenyl)methyl]propanamide (CID 32589926) is N-cyclopropyl-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(4-methylphenyl)methyl]propanamide.
What is the SMILES notation for N-cyclopropyl-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(4-methylphenyl)methyl]propanamide?
The canonical SMILES for N-cyclopropyl-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(4-methylphenyl)methyl]propanamide is Cc1ccc(CN(C(=O)CCc2c(C)nc3ncnn3c2C)C2CC2)cc1.
What is the InChIKey of N-cyclopropyl-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(4-methylphenyl)methyl]propanamide?
The InChIKey is GUXBMSGCXOIROB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c1-14-4-6-17(7-5-14)12-25(18-8-9-18)20(27)11-10-19-15(2)24-21-22-13-23-26(21)16(19)3/h4-7,13,18H,8-12H2,1-3H3.
What are the key properties of N-cyclopropyl-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(4-methylphenyl)methyl]propanamide?
N-cyclopropyl-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(4-methylphenyl)methyl]propanamide has a molecular weight of 363.47 g/mol, XLogP of 3.17, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(4-methylphenyl)methyl]propanamide is sourced from PubChem (CID 32589926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).