7-(furan-2-yl)-3-(quinolin-6-ylmethyl)triazolo[4,5-d]pyrimidin-5-amine

C18H13N7O — CID 68891952

IUPAC7-(furan-2-yl)-3-(quinolin-6-ylmethyl)triazolo[4,5-d]pyrimidin-5-amine
SMILESNc1nc(-c2ccco2)c2nnn(Cc3ccc4ncccc4c3)c2n1
InChIInChI=1S/C18H13N7O/c19-18-21-15(14-4-2-8-26-14)16-17(22-18)25(24-23-16)10-11-5-6-13-12(9-11)3-1-7-20-13/h1-9H,10H2,(H2,19,21,22)
InChIKeyADDGFDCQCZBUBV-UHFFFAOYSA-N
MW343.35 g/mol
LogP2.66
Rot. Bonds3

About 7-(furan-2-yl)-3-(quinolin-6-ylmethyl)triazolo[4,5-d]pyrimidin-5-amine

7-(furan-2-yl)-3-(quinolin-6-ylmethyl)triazolo[4,5-d]pyrimidin-5-amine (PubChem CID 68891952) has the molecular formula C18H13N7O and a molecular weight of 343.35 g/mol. Its IUPAC name is 7-(furan-2-yl)-3-(quinolin-6-ylmethyl)triazolo[4,5-d]pyrimidin-5-amine.

Molecular Properties

Compound Name7-(furan-2-yl)-3-(quinolin-6-ylmethyl)triazolo[4,5-d]pyrimidin-5-amine
PubChem CID68891952
Molecular FormulaC18H13N7O
Molecular Weight343.35 g/mol
Exact Mass343.12
IUPAC Name7-(furan-2-yl)-3-(quinolin-6-ylmethyl)triazolo[4,5-d]pyrimidin-5-amine
SMILESNc1nc(-c2ccco2)c2nnn(Cc3ccc4ncccc4c3)c2n1
InChIInChI=1S/C18H13N7O/c19-18-21-15(14-4-2-8-26-14)16-17(22-18)25(24-23-16)10-11-5-6-13-12(9-11)3-1-7-20-13/h1-9H,10H2,(H2,19,21,22)
InChIKeyADDGFDCQCZBUBV-UHFFFAOYSA-N
XLogP2.66
TPSA108.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.35
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-(furan-2-yl)-3-(quinolin-6-ylmethyl)triazolo[4,5-d]pyrimidin-5-amine?
The IUPAC name of 7-(furan-2-yl)-3-(quinolin-6-ylmethyl)triazolo[4,5-d]pyrimidin-5-amine (CID 68891952) is 7-(furan-2-yl)-3-(quinolin-6-ylmethyl)triazolo[4,5-d]pyrimidin-5-amine.
What is the SMILES notation for 7-(furan-2-yl)-3-(quinolin-6-ylmethyl)triazolo[4,5-d]pyrimidin-5-amine?
The canonical SMILES for 7-(furan-2-yl)-3-(quinolin-6-ylmethyl)triazolo[4,5-d]pyrimidin-5-amine is Nc1nc(-c2ccco2)c2nnn(Cc3ccc4ncccc4c3)c2n1.
What is the InChIKey of 7-(furan-2-yl)-3-(quinolin-6-ylmethyl)triazolo[4,5-d]pyrimidin-5-amine?
The InChIKey is ADDGFDCQCZBUBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N7O/c19-18-21-15(14-4-2-8-26-14)16-17(22-18)25(24-23-16)10-11-5-6-13-12(9-11)3-1-7-20-13/h1-9H,10H2,(H2,19,21,22).
What are the key properties of 7-(furan-2-yl)-3-(quinolin-6-ylmethyl)triazolo[4,5-d]pyrimidin-5-amine?
7-(furan-2-yl)-3-(quinolin-6-ylmethyl)triazolo[4,5-d]pyrimidin-5-amine has a molecular weight of 343.35 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(furan-2-yl)-3-(quinolin-6-ylmethyl)triazolo[4,5-d]pyrimidin-5-amine is sourced from PubChem (CID 68891952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).