N-(4-ethylphenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C15H17N5 — CID 5308471

IUPACN-(4-ethylphenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1ccc(Nc2cc(C)nc3nc(C)nn23)cc1
InChIInChI=1S/C15H17N5/c1-4-12-5-7-13(8-6-12)18-14-9-10(2)16-15-17-11(3)19-20(14)15/h5-9,18H,4H2,1-3H3
InChIKeyWAUKSVKCFIGKGN-UHFFFAOYSA-N
MW267.34 g/mol
LogP3.05
Rot. Bonds3

About N-(4-ethylphenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

N-(4-ethylphenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 5308471) has the molecular formula C15H17N5 and a molecular weight of 267.34 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(4-ethylphenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID5308471
Molecular FormulaC15H17N5
Molecular Weight267.34 g/mol
Exact Mass267.15
IUPAC NameN-(4-ethylphenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1ccc(Nc2cc(C)nc3nc(C)nn23)cc1
InChIInChI=1S/C15H17N5/c1-4-12-5-7-13(8-6-12)18-14-9-10(2)16-15-17-11(3)19-20(14)15/h5-9,18H,4H2,1-3H3
InChIKeyWAUKSVKCFIGKGN-UHFFFAOYSA-N
XLogP3.05
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-(4-ethylphenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 5308471) is N-(4-ethylphenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-(4-ethylphenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-(4-ethylphenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is CCc1ccc(Nc2cc(C)nc3nc(C)nn23)cc1.
What is the InChIKey of N-(4-ethylphenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is WAUKSVKCFIGKGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5/c1-4-12-5-7-13(8-6-12)18-14-9-10(2)16-15-17-11(3)19-20(14)15/h5-9,18H,4H2,1-3H3.
What are the key properties of N-(4-ethylphenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-(4-ethylphenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 267.34 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 5308471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).