N',N'-dimethyl-N-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethane-1,2-diamine

C18H20N8 — CID 59341873

IUPACN',N'-dimethyl-N-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethane-1,2-diamine
SMILESCN(C)CCNc1cnc2nnn(Cc3ccc4ncccc4c3)c2n1
InChIInChI=1S/C18H20N8/c1-25(2)9-8-20-16-11-21-17-18(22-16)26(24-23-17)12-13-5-6-15-14(10-13)4-3-7-19-15/h3-7,10-11H,8-9,12H2,1-2H3,(H,20,22)
InChIKeyFRGBZZPUEOIMQH-UHFFFAOYSA-N
MW348.41 g/mol
LogP1.79
Rot. Bonds6

About N',N'-dimethyl-N-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethane-1,2-diamine

N',N'-dimethyl-N-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethane-1,2-diamine (PubChem CID 59341873) has the molecular formula C18H20N8 and a molecular weight of 348.41 g/mol. Its IUPAC name is N',N'-dimethyl-N-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethane-1,2-diamine
PubChem CID59341873
Molecular FormulaC18H20N8
Molecular Weight348.41 g/mol
Exact Mass348.18
IUPAC NameN',N'-dimethyl-N-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethane-1,2-diamine
SMILESCN(C)CCNc1cnc2nnn(Cc3ccc4ncccc4c3)c2n1
InChIInChI=1S/C18H20N8/c1-25(2)9-8-20-16-11-21-17-18(22-16)26(24-23-17)12-13-5-6-15-14(10-13)4-3-7-19-15/h3-7,10-11H,8-9,12H2,1-2H3,(H,20,22)
InChIKeyFRGBZZPUEOIMQH-UHFFFAOYSA-N
XLogP1.79
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-N-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethane-1,2-diamine (CID 59341873) is N',N'-dimethyl-N-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-N-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-N-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethane-1,2-diamine is CN(C)CCNc1cnc2nnn(Cc3ccc4ncccc4c3)c2n1.
What is the InChIKey of N',N'-dimethyl-N-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethane-1,2-diamine?
The InChIKey is FRGBZZPUEOIMQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N8/c1-25(2)9-8-20-16-11-21-17-18(22-16)26(24-23-17)12-13-5-6-15-14(10-13)4-3-7-19-15/h3-7,10-11H,8-9,12H2,1-2H3,(H,20,22).
What are the key properties of N',N'-dimethyl-N-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethane-1,2-diamine?
N',N'-dimethyl-N-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethane-1,2-diamine has a molecular weight of 348.41 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethane-1,2-diamine is sourced from PubChem (CID 59341873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).