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

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Related Compounds

Pf-04217903
CID 17754438
6-(Difluoro(6-(1-methyl-1H-pyrazol-4-yl)-1,2,4-triazolo(4,3-b)pyridazin-3-yl)methyl)quinoline
CID 46911863
Vactosertib
CID 54766013
Miransertib
CID 53262401
(alphaS)-7-Fluoro-alpha-methyl-N-9H-purin-6-yl-2-(2-pyridinyl)-3-quinolinemethanamine
CID 68947304
N6,N6-dimethyl-N4-[1-(phenylmethyl)-5-indazolyl]pyrido[3,4-d]pyrimidine-4,6-diamine
CID 6603857
PF-04254644
CID 24871823
Ldn-212854
CID 60182388
4-(6-(4-(1-Piperazinyl)phenyl)pyrazolo(1,5-a)pyrimidin-3-yl)quinoline
CID 25195294
N2-methyl-N4-(pyrimidin-2-ylmethyl)-5-(quinolin-6-yl)-7H-pyrrolo(2,3-d)pyrimidine-2,4-diamine
CID 133082038
1-(1-methylethyl)-3-quinolin-6-yl-1H-pyrazolo(3,4-d)pyrimidin-4-amine
CID 24905152
Vlx-600
CID 6410104

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).