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

C16H15N7 — CID 59341881

IUPACN-ethyl-3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-amine
SMILESCCNc1cnc2nnn(Cc3ccc4ncccc4c3)c2n1
InChIInChI=1S/C16H15N7/c1-2-17-14-9-19-15-16(20-14)23(22-21-15)10-11-5-6-13-12(8-11)4-3-7-18-13/h3-9H,2,10H2,1H3,(H,17,20)
InChIKeyZCPQOAVPCMNWRI-UHFFFAOYSA-N
MW305.35 g/mol
LogP2.25
Rot. Bonds4

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

N-ethyl-3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-amine (PubChem CID 59341881) has the molecular formula C16H15N7 and a molecular weight of 305.35 g/mol. Its IUPAC name is N-ethyl-3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-amine.

Molecular Properties

Compound NameN-ethyl-3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-amine
PubChem CID59341881
Molecular FormulaC16H15N7
Molecular Weight305.35 g/mol
Exact Mass305.14
IUPAC NameN-ethyl-3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-amine
SMILESCCNc1cnc2nnn(Cc3ccc4ncccc4c3)c2n1
InChIInChI=1S/C16H15N7/c1-2-17-14-9-19-15-16(20-14)23(22-21-15)10-11-5-6-13-12(8-11)4-3-7-18-13/h3-9H,2,10H2,1H3,(H,17,20)
InChIKeyZCPQOAVPCMNWRI-UHFFFAOYSA-N
XLogP2.25
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-ethyl-3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-amine?
The IUPAC name of N-ethyl-3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-amine (CID 59341881) is N-ethyl-3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-amine.
What is the SMILES notation for N-ethyl-3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-amine?
The canonical SMILES for N-ethyl-3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-amine is CCNc1cnc2nnn(Cc3ccc4ncccc4c3)c2n1.
What is the InChIKey of N-ethyl-3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-amine?
The InChIKey is ZCPQOAVPCMNWRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N7/c1-2-17-14-9-19-15-16(20-14)23(22-21-15)10-11-5-6-13-12(8-11)4-3-7-18-13/h3-9H,2,10H2,1H3,(H,17,20).
What are the key properties of N-ethyl-3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-amine?
N-ethyl-3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-amine has a molecular weight of 305.35 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-amine is sourced from PubChem (CID 59341881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).