1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethanamine

C16H15N7 — CID 59341949

IUPAC1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethanamine
SMILESCC(N)c1cnc2nnn(Cc3ccc4ncccc4c3)c2n1
InChIInChI=1S/C16H15N7/c1-10(17)14-8-19-15-16(20-14)23(22-21-15)9-11-4-5-13-12(7-11)3-2-6-18-13/h2-8,10H,9,17H2,1H3
InChIKeyCUTXELNOPFJBNB-UHFFFAOYSA-N
MW305.35 g/mol
LogP1.84
Rot. Bonds3

About 1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethanamine

1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethanamine (PubChem CID 59341949) has the molecular formula C16H15N7 and a molecular weight of 305.35 g/mol. Its IUPAC name is 1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethanamine.

Molecular Properties

Compound Name1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethanamine
PubChem CID59341949
Molecular FormulaC16H15N7
Molecular Weight305.35 g/mol
Exact Mass305.14
IUPAC Name1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethanamine
SMILESCC(N)c1cnc2nnn(Cc3ccc4ncccc4c3)c2n1
InChIInChI=1S/C16H15N7/c1-10(17)14-8-19-15-16(20-14)23(22-21-15)9-11-4-5-13-12(7-11)3-2-6-18-13/h2-8,10H,9,17H2,1H3
InChIKeyCUTXELNOPFJBNB-UHFFFAOYSA-N
XLogP1.84
TPSA95.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethanol
CID 59341838
2-methyl-1-[[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]amino]propan-2-ol
CID 59341867
1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethylidenehydrazine
CID 78153634
6-[[5-(1H-pyrazol-5-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline
CID 24852078
6-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline
CID 156790144
1-[1-(quinolin-6-ylmethyl)triazol-4-yl]ethanamine
CID 114419542
6-[[5-(3-methoxyphenyl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline
CID 24851840
3-amino-1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrrolidine-3-carboxamide
CID 59341952
N-methyl-2-[[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]methyl]pyridine-3-carboxamide
CID 148707526
N-methyl-2-[[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]methyl]pyridine-4-carboxamide
CID 153129012
2-[4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]-1H-pyrazol-5-yl]ethanol
CID 67455909
N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-amine
CID 59341944

Frequently Asked Questions

What is the IUPAC name of 1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethanamine?
The IUPAC name of 1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethanamine (CID 59341949) is 1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethanamine.
What is the SMILES notation for 1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethanamine?
The canonical SMILES for 1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethanamine is CC(N)c1cnc2nnn(Cc3ccc4ncccc4c3)c2n1.
What is the InChIKey of 1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethanamine?
The InChIKey is CUTXELNOPFJBNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N7/c1-10(17)14-8-19-15-16(20-14)23(22-21-15)9-11-4-5-13-12(7-11)3-2-6-18-13/h2-8,10H,9,17H2,1H3.
What are the key properties of 1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethanamine?
1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethanamine has a molecular weight of 305.35 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethanamine is sourced from PubChem (CID 59341949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).