2-ethyl-N-(4-methoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C15H17N5O — CID 15990003

IUPAC2-ethyl-N-(4-methoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1nc2nc(C)cc(Nc3ccc(OC)cc3)n2n1
InChIInChI=1S/C15H17N5O/c1-4-13-18-15-16-10(2)9-14(20(15)19-13)17-11-5-7-12(21-3)8-6-11/h5-9,17H,4H2,1-3H3
InChIKeyHANSGTGIFJTKJD-UHFFFAOYSA-N
MW283.34 g/mol
LogP2.75
Rot. Bonds4

About 2-ethyl-N-(4-methoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

2-ethyl-N-(4-methoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 15990003) has the molecular formula C15H17N5O and a molecular weight of 283.34 g/mol. Its IUPAC name is 2-ethyl-N-(4-methoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name2-ethyl-N-(4-methoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID15990003
Molecular FormulaC15H17N5O
Molecular Weight283.34 g/mol
Exact Mass283.14
IUPAC Name2-ethyl-N-(4-methoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1nc2nc(C)cc(Nc3ccc(OC)cc3)n2n1
InChIInChI=1S/C15H17N5O/c1-4-13-18-15-16-10(2)9-14(20(15)19-13)17-11-5-7-12(21-3)8-6-11/h5-9,17H,4H2,1-3H3
InChIKeyHANSGTGIFJTKJD-UHFFFAOYSA-N
XLogP2.75
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(4-methoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 2-ethyl-N-(4-methoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 15990003) is 2-ethyl-N-(4-methoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 2-ethyl-N-(4-methoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 2-ethyl-N-(4-methoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is CCc1nc2nc(C)cc(Nc3ccc(OC)cc3)n2n1.
What is the InChIKey of 2-ethyl-N-(4-methoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is HANSGTGIFJTKJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c1-4-13-18-15-16-10(2)9-14(20(15)19-13)17-11-5-7-12(21-3)8-6-11/h5-9,17H,4H2,1-3H3.
What are the key properties of 2-ethyl-N-(4-methoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
2-ethyl-N-(4-methoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 283.34 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(4-methoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 15990003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).