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

C18H17N5O — CID 20961756

IUPACN-(4-ethylphenyl)-2-(furan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1ccc(Nc2cc(C)nc3nc(-c4ccco4)nn23)cc1
InChIInChI=1S/C18H17N5O/c1-3-13-6-8-14(9-7-13)20-16-11-12(2)19-18-21-17(22-23(16)18)15-5-4-10-24-15/h4-11,20H,3H2,1-2H3
InChIKeyAHODCOPZNCMDFP-UHFFFAOYSA-N
MW319.37 g/mol
LogP4.00
Rot. Bonds4

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

N-(4-ethylphenyl)-2-(furan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 20961756) has the molecular formula C18H17N5O and a molecular weight of 319.37 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2-(furan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(4-ethylphenyl)-2-(furan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID20961756
Molecular FormulaC18H17N5O
Molecular Weight319.37 g/mol
Exact Mass319.14
IUPAC NameN-(4-ethylphenyl)-2-(furan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1ccc(Nc2cc(C)nc3nc(-c4ccco4)nn23)cc1
InChIInChI=1S/C18H17N5O/c1-3-13-6-8-14(9-7-13)20-16-11-12(2)19-18-21-17(22-23(16)18)15-5-4-10-24-15/h4-11,20H,3H2,1-2H3
InChIKeyAHODCOPZNCMDFP-UHFFFAOYSA-N
XLogP4.00
TPSA68.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-2-(furan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-(4-ethylphenyl)-2-(furan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 20961756) is N-(4-ethylphenyl)-2-(furan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-(4-ethylphenyl)-2-(furan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-(4-ethylphenyl)-2-(furan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is CCc1ccc(Nc2cc(C)nc3nc(-c4ccco4)nn23)cc1.
What is the InChIKey of N-(4-ethylphenyl)-2-(furan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is AHODCOPZNCMDFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O/c1-3-13-6-8-14(9-7-13)20-16-11-12(2)19-18-21-17(22-23(16)18)15-5-4-10-24-15/h4-11,20H,3H2,1-2H3.
What are the key properties of N-(4-ethylphenyl)-2-(furan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-(4-ethylphenyl)-2-(furan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 319.37 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-2-(furan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 20961756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).