3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-amine

C14H11N7 — CID 59341811

IUPAC3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-amine
SMILESNc1cnc2nnn(Cc3ccc4ncccc4c3)c2n1
InChIInChI=1S/C14H11N7/c15-12-7-17-13-14(18-12)21(20-19-13)8-9-3-4-11-10(6-9)2-1-5-16-11/h1-7H,8H2,(H2,15,18)
InChIKeyROQBRRPMJTVERD-UHFFFAOYSA-N
MW277.29 g/mol
LogP1.40
Rot. Bonds2

About 3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-amine

3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-amine (PubChem CID 59341811) has the molecular formula C14H11N7 and a molecular weight of 277.29 g/mol. Its IUPAC name is 3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-amine.

Molecular Properties

Compound Name3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-amine
PubChem CID59341811
Molecular FormulaC14H11N7
Molecular Weight277.29 g/mol
Exact Mass277.11
IUPAC Name3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-amine
SMILESNc1cnc2nnn(Cc3ccc4ncccc4c3)c2n1
InChIInChI=1S/C14H11N7/c15-12-7-17-13-14(18-12)21(20-19-13)8-9-3-4-11-10(6-9)2-1-5-16-11/h1-7H,8H2,(H2,15,18)
InChIKeyROQBRRPMJTVERD-UHFFFAOYSA-N
XLogP1.40
TPSA95.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-amine?
The IUPAC name of 3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-amine (CID 59341811) is 3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-amine.
What is the SMILES notation for 3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-amine?
The canonical SMILES for 3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-amine is Nc1cnc2nnn(Cc3ccc4ncccc4c3)c2n1.
What is the InChIKey of 3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-amine?
The InChIKey is ROQBRRPMJTVERD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N7/c15-12-7-17-13-14(18-12)21(20-19-13)8-9-3-4-11-10(6-9)2-1-5-16-11/h1-7H,8H2,(H2,15,18).
What are the key properties of 3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-amine?
3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-amine has a molecular weight of 277.29 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-amine is sourced from PubChem (CID 59341811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).