7-[(E)-2-(4-methoxyphenyl)ethenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine

C14H13N5O — CID 6049958

IUPAC7-[(E)-2-(4-methoxyphenyl)ethenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
SMILESCOc1ccc(/C=C/c2ccnc3nc(N)nn23)cc1
InChIInChI=1S/C14H13N5O/c1-20-12-6-3-10(4-7-12)2-5-11-8-9-16-14-17-13(15)18-19(11)14/h2-9H,1H3,(H2,15,18)/b5-2+
InChIKeyNOYKFXYXXVODHI-GORDUTHDSA-N
MW267.29 g/mol
LogP1.89
Rot. Bonds3

About 7-[(E)-2-(4-methoxyphenyl)ethenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine

7-[(E)-2-(4-methoxyphenyl)ethenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine (PubChem CID 6049958) has the molecular formula C14H13N5O and a molecular weight of 267.29 g/mol. Its IUPAC name is 7-[(E)-2-(4-methoxyphenyl)ethenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine.

Molecular Properties

Compound Name7-[(E)-2-(4-methoxyphenyl)ethenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
PubChem CID6049958
Molecular FormulaC14H13N5O
Molecular Weight267.29 g/mol
Exact Mass267.11
IUPAC Name7-[(E)-2-(4-methoxyphenyl)ethenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
SMILESCOc1ccc(/C=C/c2ccnc3nc(N)nn23)cc1
InChIInChI=1S/C14H13N5O/c1-20-12-6-3-10(4-7-12)2-5-11-8-9-16-14-17-13(15)18-19(11)14/h2-9H,1H3,(H2,15,18)/b5-2+
InChIKeyNOYKFXYXXVODHI-GORDUTHDSA-N
XLogP1.89
TPSA78.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[(E)-2-(4-methoxyphenyl)ethenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The IUPAC name of 7-[(E)-2-(4-methoxyphenyl)ethenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine (CID 6049958) is 7-[(E)-2-(4-methoxyphenyl)ethenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine.
What is the SMILES notation for 7-[(E)-2-(4-methoxyphenyl)ethenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The canonical SMILES for 7-[(E)-2-(4-methoxyphenyl)ethenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine is COc1ccc(/C=C/c2ccnc3nc(N)nn23)cc1.
What is the InChIKey of 7-[(E)-2-(4-methoxyphenyl)ethenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The InChIKey is NOYKFXYXXVODHI-GORDUTHDSA-N. The full InChI is InChI=1S/C14H13N5O/c1-20-12-6-3-10(4-7-12)2-5-11-8-9-16-14-17-13(15)18-19(11)14/h2-9H,1H3,(H2,15,18)/b5-2+.
What are the key properties of 7-[(E)-2-(4-methoxyphenyl)ethenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
7-[(E)-2-(4-methoxyphenyl)ethenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine has a molecular weight of 267.29 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(E)-2-(4-methoxyphenyl)ethenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine is sourced from PubChem (CID 6049958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).