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

C19H19N9O — CID 59341952

IUPAC3-amino-1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrrolidine-3-carboxamide
SMILESNC(=O)C1(N)CCN(c2cnc3nnn(Cc4ccc5ncccc5c4)c3n2)C1
InChIInChI=1S/C19H19N9O/c20-18(29)19(21)5-7-27(11-19)15-9-23-16-17(24-15)28(26-25-16)10-12-3-4-14-13(8-12)2-1-6-22-14/h1-4,6,8-9H,5,7,10-11,21H2,(H2,20,29)
InChIKeyIGVJTLMHIREHGX-UHFFFAOYSA-N
MW389.42 g/mol
LogP0.21
Rot. Bonds4

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

3-amino-1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrrolidine-3-carboxamide (PubChem CID 59341952) has the molecular formula C19H19N9O and a molecular weight of 389.42 g/mol. Its IUPAC name is 3-amino-1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name3-amino-1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrrolidine-3-carboxamide
PubChem CID59341952
Molecular FormulaC19H19N9O
Molecular Weight389.42 g/mol
Exact Mass389.17
IUPAC Name3-amino-1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrrolidine-3-carboxamide
SMILESNC(=O)C1(N)CCN(c2cnc3nnn(Cc4ccc5ncccc5c4)c3n2)C1
InChIInChI=1S/C19H19N9O/c20-18(29)19(21)5-7-27(11-19)15-9-23-16-17(24-15)28(26-25-16)10-12-3-4-14-13(8-12)2-1-6-22-14/h1-4,6,8-9H,5,7,10-11,21H2,(H2,20,29)
InChIKeyIGVJTLMHIREHGX-UHFFFAOYSA-N
XLogP0.21
TPSA141.73 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

3-[(dimethylamino)methyl]-1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrrolidin-3-ol
CID 59341810
3-[(2-methylimidazol-1-yl)methyl]-1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrrolidin-3-ol
CID 59341954
1-[(3S)-1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrrolidin-3-yl]piperidin-4-ol
CID 59341935
tert-butyl N-[1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]piperidin-4-yl]carbamate
CID 59341957
1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethanol
CID 59341838
tert-butyl N-[1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]piperidin-3-yl]carbamate
CID 67457605
1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethanamine
CID 59341949
4-[1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrrolidin-3-yl]morpholine;hydrochloride
CID 24884478
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
3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridine-5-carboxamide
CID 151275107
6-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline
CID 156790144

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrrolidine-3-carboxamide?
The IUPAC name of 3-amino-1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrrolidine-3-carboxamide (CID 59341952) is 3-amino-1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 3-amino-1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrrolidine-3-carboxamide?
The canonical SMILES for 3-amino-1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrrolidine-3-carboxamide is NC(=O)C1(N)CCN(c2cnc3nnn(Cc4ccc5ncccc5c4)c3n2)C1.
What is the InChIKey of 3-amino-1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrrolidine-3-carboxamide?
The InChIKey is IGVJTLMHIREHGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N9O/c20-18(29)19(21)5-7-27(11-19)15-9-23-16-17(24-15)28(26-25-16)10-12-3-4-14-13(8-12)2-1-6-22-14/h1-4,6,8-9H,5,7,10-11,21H2,(H2,20,29).
What are the key properties of 3-amino-1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrrolidine-3-carboxamide?
3-amino-1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrrolidine-3-carboxamide has a molecular weight of 389.42 g/mol, XLogP of 0.21, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 59341952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).