7-(3,4-dimethoxyphenyl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine

C17H15N5O3 — CID 10149932

IUPAC7-(3,4-dimethoxyphenyl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
SMILESCOc1ccc(-c2cc3nc(-c4ccco4)nn3c(N)n2)cc1OC
InChIInChI=1S/C17H15N5O3/c1-23-12-6-5-10(8-14(12)24-2)11-9-15-20-16(13-4-3-7-25-13)21-22(15)17(18)19-11/h3-9H,1-2H3,(H2,18,19)
InChIKeyJMAJPKAFLXKDDQ-UHFFFAOYSA-N
MW337.34 g/mol
LogP2.65
Rot. Bonds4

About 7-(3,4-dimethoxyphenyl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine

7-(3,4-dimethoxyphenyl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (PubChem CID 10149932) has the molecular formula C17H15N5O3 and a molecular weight of 337.34 g/mol. Its IUPAC name is 7-(3,4-dimethoxyphenyl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine.

Molecular Properties

Compound Name7-(3,4-dimethoxyphenyl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
PubChem CID10149932
Molecular FormulaC17H15N5O3
Molecular Weight337.34 g/mol
Exact Mass337.12
IUPAC Name7-(3,4-dimethoxyphenyl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
SMILESCOc1ccc(-c2cc3nc(-c4ccco4)nn3c(N)n2)cc1OC
InChIInChI=1S/C17H15N5O3/c1-23-12-6-5-10(8-14(12)24-2)11-9-15-20-16(13-4-3-7-25-13)21-22(15)17(18)19-11/h3-9H,1-2H3,(H2,18,19)
InChIKeyJMAJPKAFLXKDDQ-UHFFFAOYSA-N
XLogP2.65
TPSA100.70 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-(3,4-dimethoxyphenyl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The IUPAC name of 7-(3,4-dimethoxyphenyl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (CID 10149932) is 7-(3,4-dimethoxyphenyl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine.
What is the SMILES notation for 7-(3,4-dimethoxyphenyl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The canonical SMILES for 7-(3,4-dimethoxyphenyl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is COc1ccc(-c2cc3nc(-c4ccco4)nn3c(N)n2)cc1OC.
What is the InChIKey of 7-(3,4-dimethoxyphenyl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The InChIKey is JMAJPKAFLXKDDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O3/c1-23-12-6-5-10(8-14(12)24-2)11-9-15-20-16(13-4-3-7-25-13)21-22(15)17(18)19-11/h3-9H,1-2H3,(H2,18,19).
What are the key properties of 7-(3,4-dimethoxyphenyl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
7-(3,4-dimethoxyphenyl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine has a molecular weight of 337.34 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,4-dimethoxyphenyl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is sourced from PubChem (CID 10149932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).