6-ethyl-5-methyl-N,2-diphenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C20H19N5 — CID 22433824

IUPAC6-ethyl-5-methyl-N,2-diphenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1c(C)nc2nc(-c3ccccc3)nn2c1Nc1ccccc1
InChIInChI=1S/C20H19N5/c1-3-17-14(2)21-20-23-18(15-10-6-4-7-11-15)24-25(20)19(17)22-16-12-8-5-9-13-16/h4-13,22H,3H2,1-2H3
InChIKeyJCFCHXSGCCILHO-UHFFFAOYSA-N
MW329.41 g/mol
LogP4.41
Rot. Bonds4

About 6-ethyl-5-methyl-N,2-diphenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

6-ethyl-5-methyl-N,2-diphenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 22433824) has the molecular formula C20H19N5 and a molecular weight of 329.41 g/mol. Its IUPAC name is 6-ethyl-5-methyl-N,2-diphenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name6-ethyl-5-methyl-N,2-diphenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID22433824
Molecular FormulaC20H19N5
Molecular Weight329.41 g/mol
Exact Mass329.16
IUPAC Name6-ethyl-5-methyl-N,2-diphenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1c(C)nc2nc(-c3ccccc3)nn2c1Nc1ccccc1
InChIInChI=1S/C20H19N5/c1-3-17-14(2)21-20-23-18(15-10-6-4-7-11-15)24-25(20)19(17)22-16-12-8-5-9-13-16/h4-13,22H,3H2,1-2H3
InChIKeyJCFCHXSGCCILHO-UHFFFAOYSA-N
XLogP4.41
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.41
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-methyl-N,2-diphenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 6-ethyl-5-methyl-N,2-diphenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 22433824) is 6-ethyl-5-methyl-N,2-diphenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 6-ethyl-5-methyl-N,2-diphenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 6-ethyl-5-methyl-N,2-diphenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is CCc1c(C)nc2nc(-c3ccccc3)nn2c1Nc1ccccc1.
What is the InChIKey of 6-ethyl-5-methyl-N,2-diphenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is JCFCHXSGCCILHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5/c1-3-17-14(2)21-20-23-18(15-10-6-4-7-11-15)24-25(20)19(17)22-16-12-8-5-9-13-16/h4-13,22H,3H2,1-2H3.
What are the key properties of 6-ethyl-5-methyl-N,2-diphenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
6-ethyl-5-methyl-N,2-diphenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 329.41 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-methyl-N,2-diphenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 22433824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).