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

C18H18N8 — CID 24851954

IUPAC(3R)-1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrrolidin-3-amine
SMILESN[C@@H]1CCN(c2cnc3nnn(Cc4ccc5ncccc5c4)c3n2)C1
InChIInChI=1S/C18H18N8/c19-14-5-7-25(11-14)16-9-21-17-18(22-16)26(24-23-17)10-12-3-4-15-13(8-12)2-1-6-20-15/h1-4,6,8-9,14H,5,7,10-11,19H2/t14-/m1/s1
InChIKeyMPTVBCUATPSHDI-CQSZACIVSA-N
MW346.40 g/mol
LogP1.36
Rot. Bonds3

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

(3R)-1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrrolidin-3-amine (PubChem CID 24851954) has the molecular formula C18H18N8 and a molecular weight of 346.40 g/mol. Its IUPAC name is (3R)-1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrrolidin-3-amine.

Molecular Properties

Compound Name(3R)-1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrrolidin-3-amine
PubChem CID24851954
Molecular FormulaC18H18N8
Molecular Weight346.40 g/mol
Exact Mass346.17
IUPAC Name(3R)-1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrrolidin-3-amine
SMILESN[C@@H]1CCN(c2cnc3nnn(Cc4ccc5ncccc5c4)c3n2)C1
InChIInChI=1S/C18H18N8/c19-14-5-7-25(11-14)16-9-21-17-18(22-16)26(24-23-17)10-12-3-4-15-13(8-12)2-1-6-20-15/h1-4,6,8-9,14H,5,7,10-11,19H2/t14-/m1/s1
InChIKeyMPTVBCUATPSHDI-CQSZACIVSA-N
XLogP1.36
TPSA98.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.40
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrrolidin-3-amine?
The IUPAC name of (3R)-1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrrolidin-3-amine (CID 24851954) is (3R)-1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrrolidin-3-amine.
What is the SMILES notation for (3R)-1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrrolidin-3-amine?
The canonical SMILES for (3R)-1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrrolidin-3-amine is N[C@@H]1CCN(c2cnc3nnn(Cc4ccc5ncccc5c4)c3n2)C1.
What is the InChIKey of (3R)-1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrrolidin-3-amine?
The InChIKey is MPTVBCUATPSHDI-CQSZACIVSA-N. The full InChI is InChI=1S/C18H18N8/c19-14-5-7-25(11-14)16-9-21-17-18(22-16)26(24-23-17)10-12-3-4-15-13(8-12)2-1-6-20-15/h1-4,6,8-9,14H,5,7,10-11,19H2/t14-/m1/s1.
What are the key properties of (3R)-1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrrolidin-3-amine?
(3R)-1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrrolidin-3-amine has a molecular weight of 346.40 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrrolidin-3-amine is sourced from PubChem (CID 24851954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).