N-[(4-methylphenyl)methyl]-5-phenyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C24H20N6 — CID 53045708

IUPACN-[(4-methylphenyl)methyl]-5-phenyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1ccc(CNc2cc(-c3ccccc3)nc3nc(-c4cccnc4)nn23)cc1
InChIInChI=1S/C24H20N6/c1-17-9-11-18(12-10-17)15-26-22-14-21(19-6-3-2-4-7-19)27-24-28-23(29-30(22)24)20-8-5-13-25-16-20/h2-14,16,26H,15H2,1H3
InChIKeyKYRVOZSJOAMLGB-UHFFFAOYSA-N
MW392.47 g/mol
LogP4.77
Rot. Bonds5

About N-[(4-methylphenyl)methyl]-5-phenyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

N-[(4-methylphenyl)methyl]-5-phenyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 53045708) has the molecular formula C24H20N6 and a molecular weight of 392.47 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-5-phenyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-5-phenyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID53045708
Molecular FormulaC24H20N6
Molecular Weight392.47 g/mol
Exact Mass392.17
IUPAC NameN-[(4-methylphenyl)methyl]-5-phenyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1ccc(CNc2cc(-c3ccccc3)nc3nc(-c4cccnc4)nn23)cc1
InChIInChI=1S/C24H20N6/c1-17-9-11-18(12-10-17)15-26-22-14-21(19-6-3-2-4-7-19)27-24-28-23(29-30(22)24)20-8-5-13-25-16-20/h2-14,16,26H,15H2,1H3
InChIKeyKYRVOZSJOAMLGB-UHFFFAOYSA-N
XLogP4.77
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.47
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-5-phenyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[(4-methylphenyl)methyl]-5-phenyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 53045708) is N-[(4-methylphenyl)methyl]-5-phenyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-5-phenyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[(4-methylphenyl)methyl]-5-phenyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1ccc(CNc2cc(-c3ccccc3)nc3nc(-c4cccnc4)nn23)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-5-phenyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is KYRVOZSJOAMLGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N6/c1-17-9-11-18(12-10-17)15-26-22-14-21(19-6-3-2-4-7-19)27-24-28-23(29-30(22)24)20-8-5-13-25-16-20/h2-14,16,26H,15H2,1H3.
What are the key properties of N-[(4-methylphenyl)methyl]-5-phenyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-[(4-methylphenyl)methyl]-5-phenyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 392.47 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-5-phenyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 53045708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).