N-(6-butyl-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(4-methylphenyl)methyl]propanamide

C21H27N5O2 — CID 53046255

IUPACN-(6-butyl-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(4-methylphenyl)methyl]propanamide
SMILESCCCCc1c(C)nc2nc(N(Cc3ccc(C)cc3)C(=O)CC)[nH]n2c1=O
InChIInChI=1S/C21H27N5O2/c1-5-7-8-17-15(4)22-20-23-21(24-26(20)19(17)28)25(18(27)6-2)13-16-11-9-14(3)10-12-16/h9-12H,5-8,13H2,1-4H3,(H,22,23,24)
InChIKeyZQOGOMDRFNUAJK-UHFFFAOYSA-N
MW381.48 g/mol
LogP3.32
Rot. Bonds7

About N-(6-butyl-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(4-methylphenyl)methyl]propanamide

N-(6-butyl-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(4-methylphenyl)methyl]propanamide (PubChem CID 53046255) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-(6-butyl-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(4-methylphenyl)methyl]propanamide.

Molecular Properties

Compound NameN-(6-butyl-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(4-methylphenyl)methyl]propanamide
PubChem CID53046255
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC NameN-(6-butyl-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(4-methylphenyl)methyl]propanamide
SMILESCCCCc1c(C)nc2nc(N(Cc3ccc(C)cc3)C(=O)CC)[nH]n2c1=O
InChIInChI=1S/C21H27N5O2/c1-5-7-8-17-15(4)22-20-23-21(24-26(20)19(17)28)25(18(27)6-2)13-16-11-9-14(3)10-12-16/h9-12H,5-8,13H2,1-4H3,(H,22,23,24)
InChIKeyZQOGOMDRFNUAJK-UHFFFAOYSA-N
XLogP3.32
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(6-butyl-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-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

N-(6-butyl-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(4-methylphenyl)methyl]cyclohexanecarboxamide
CID 53046261
N-(6-butyl-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(4-ethoxyphenyl)methyl]-4-fluorobenzamide
CID 53048930
N-(6-butyl-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(4-cyanophenyl)methyl]furan-2-carboxamide
CID 53048945
N-(6-butyl-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(3-chlorophenyl)methyl]cyclohexanecarboxamide
CID 53048903
N-(5,6-dimethyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(4-ethoxyphenyl)methyl]butanamide
CID 53048797
N-[(4-cyanophenyl)methyl]-N-(5,6-dimethyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)butanamide
CID 53048816
N-(5,6-dimethyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(4-methoxyphenyl)methyl]-4-methylbenzamide
CID 53046146
N-(5,6-dimethyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-(thiophen-2-ylmethyl)pentanamide
CID 53046182
N-(4-methylphenyl)-N-[(4-methylphenyl)methyl]propanamide
CID 139238463
N-(5,6-dimethyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(4-ethoxyphenyl)methyl]-4-fluorobenzamide
CID 53048801
N-[(4-chlorophenyl)methyl]-N-(5,6-dimethyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide
CID 50753136
N-(6-benzyl-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 53046229

Frequently Asked Questions

What is the IUPAC name of N-(6-butyl-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(4-methylphenyl)methyl]propanamide?
The IUPAC name of N-(6-butyl-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(4-methylphenyl)methyl]propanamide (CID 53046255) is N-(6-butyl-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(4-methylphenyl)methyl]propanamide.
What is the SMILES notation for N-(6-butyl-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(4-methylphenyl)methyl]propanamide?
The canonical SMILES for N-(6-butyl-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(4-methylphenyl)methyl]propanamide is CCCCc1c(C)nc2nc(N(Cc3ccc(C)cc3)C(=O)CC)[nH]n2c1=O.
What is the InChIKey of N-(6-butyl-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(4-methylphenyl)methyl]propanamide?
The InChIKey is ZQOGOMDRFNUAJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2/c1-5-7-8-17-15(4)22-20-23-21(24-26(20)19(17)28)25(18(27)6-2)13-16-11-9-14(3)10-12-16/h9-12H,5-8,13H2,1-4H3,(H,22,23,24).
What are the key properties of N-(6-butyl-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(4-methylphenyl)methyl]propanamide?
N-(6-butyl-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(4-methylphenyl)methyl]propanamide has a molecular weight of 381.48 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-butyl-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(4-methylphenyl)methyl]propanamide is sourced from PubChem (CID 53046255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).