N-[7-(4-methoxyphenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propanamide

C21H21N5O2 — CID 2951684

IUPACN-[7-(4-methoxyphenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propanamide
SMILESCCC(=O)Nc1nc2n(n1)C(c1ccc(OC)cc1)C=C(c1ccccc1)N2
InChIInChI=1S/C21H21N5O2/c1-3-19(27)23-20-24-21-22-17(14-7-5-4-6-8-14)13-18(26(21)25-20)15-9-11-16(28-2)12-10-15/h4-13,18H,3H2,1-2H3,(H2,22,23,24,25,27)
InChIKeyJCSJMXLBPAWZON-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.69
Rot. Bonds5

About N-[7-(4-methoxyphenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propanamide

N-[7-(4-methoxyphenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propanamide (PubChem CID 2951684) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is N-[7-(4-methoxyphenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propanamide.

Molecular Properties

Compound NameN-[7-(4-methoxyphenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propanamide
PubChem CID2951684
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC NameN-[7-(4-methoxyphenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propanamide
SMILESCCC(=O)Nc1nc2n(n1)C(c1ccc(OC)cc1)C=C(c1ccccc1)N2
InChIInChI=1S/C21H21N5O2/c1-3-19(27)23-20-24-21-22-17(14-7-5-4-6-8-14)13-18(26(21)25-20)15-9-11-16(28-2)12-10-15/h4-13,18H,3H2,1-2H3,(H2,22,23,24,25,27)
InChIKeyJCSJMXLBPAWZON-UHFFFAOYSA-N
XLogP3.69
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[7-(4-methoxyphenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-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

Frequently Asked Questions

What is the IUPAC name of N-[7-(4-methoxyphenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propanamide?
The IUPAC name of N-[7-(4-methoxyphenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propanamide (CID 2951684) is N-[7-(4-methoxyphenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propanamide.
What is the SMILES notation for N-[7-(4-methoxyphenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propanamide?
The canonical SMILES for N-[7-(4-methoxyphenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propanamide is CCC(=O)Nc1nc2n(n1)C(c1ccc(OC)cc1)C=C(c1ccccc1)N2.
What is the InChIKey of N-[7-(4-methoxyphenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propanamide?
The InChIKey is JCSJMXLBPAWZON-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c1-3-19(27)23-20-24-21-22-17(14-7-5-4-6-8-14)13-18(26(21)25-20)15-9-11-16(28-2)12-10-15/h4-13,18H,3H2,1-2H3,(H2,22,23,24,25,27).
What are the key properties of N-[7-(4-methoxyphenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propanamide?
N-[7-(4-methoxyphenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propanamide has a molecular weight of 375.43 g/mol, XLogP of 3.69, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(4-methoxyphenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propanamide is sourced from PubChem (CID 2951684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).