3-amino-6-chloro-N-(1-quinolin-2-ylethyl)-5-(triazol-2-yl)pyrazine-2-carboxamide

C18H15ClN8O — CID 135375430

IUPAC3-amino-6-chloro-N-(1-quinolin-2-ylethyl)-5-(triazol-2-yl)pyrazine-2-carboxamide
SMILESCC(NC(=O)c1nc(Cl)c(-n2nccn2)nc1N)c1ccc2ccccc2n1
InChIInChI=1S/C18H15ClN8O/c1-10(12-7-6-11-4-2-3-5-13(11)24-12)23-18(28)14-16(20)26-17(15(19)25-14)27-21-8-9-22-27/h2-10H,1H3,(H2,20,26)(H,23,28)
InChIKeyRBKTUWIFRIVCDK-UHFFFAOYSA-N
MW394.83 g/mol
LogP2.33
Rot. Bonds4

About 3-amino-6-chloro-N-(1-quinolin-2-ylethyl)-5-(triazol-2-yl)pyrazine-2-carboxamide

3-amino-6-chloro-N-(1-quinolin-2-ylethyl)-5-(triazol-2-yl)pyrazine-2-carboxamide (PubChem CID 135375430) has the molecular formula C18H15ClN8O and a molecular weight of 394.83 g/mol. Its IUPAC name is 3-amino-6-chloro-N-(1-quinolin-2-ylethyl)-5-(triazol-2-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-chloro-N-(1-quinolin-2-ylethyl)-5-(triazol-2-yl)pyrazine-2-carboxamide
PubChem CID135375430
Molecular FormulaC18H15ClN8O
Molecular Weight394.83 g/mol
Exact Mass394.11
IUPAC Name3-amino-6-chloro-N-(1-quinolin-2-ylethyl)-5-(triazol-2-yl)pyrazine-2-carboxamide
SMILESCC(NC(=O)c1nc(Cl)c(-n2nccn2)nc1N)c1ccc2ccccc2n1
InChIInChI=1S/C18H15ClN8O/c1-10(12-7-6-11-4-2-3-5-13(11)24-12)23-18(28)14-16(20)26-17(15(19)25-14)27-21-8-9-22-27/h2-10H,1H3,(H2,20,26)(H,23,28)
InChIKeyRBKTUWIFRIVCDK-UHFFFAOYSA-N
XLogP2.33
TPSA124.50 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.83
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

3-amino-6-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]-5-(triazol-2-yl)pyrazine-2-carboxamide
CID 135375507
methyl (2R)-2-[[3-amino-6-chloro-5-(triazol-2-yl)pyrazine-2-carbonyl]amino]-3-hydroxypropanoate
CID 121351326
3-amino-6-chloro-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-(triazol-2-yl)pyrazine-2-carboxamide
CID 121351001
3-amino-6-chloro-N-[(2,4-difluorophenyl)methyl]-5-(triazol-2-yl)pyrazine-2-carboxamide
CID 121351240
methyl (2R)-2-amino-2-quinolin-2-ylacetate
CID 131435940
3-amino-6-chloro-N-(2-hydroxy-1-phenylethyl)-5-(4-methylpyrazol-1-yl)pyrazine-2-carboxamide
CID 135375431
(1S)-1-quinolin-2-ylethanamine;hydrochloride
CID 171236571
(1R)-1-quinolin-2-ylethanamine;hydrochloride
CID 171216934
methyl 4-methyl-2-quinolin-2-ylpentanoate
CID 174662465
3-amino-5-phenyl-N-[(1S)-1-pyridin-2-ylethyl]-6-quinolin-6-ylpyrazine-2-carboxamide
CID 154604613
N-[(1R)-1-(3,4-dichlorophenyl)ethyl]quinoline-2-carboxamide
CID 9467467
N-[(1S)-1-pyridin-4-ylethyl]quinoline-2-carboxamide
CID 30479872

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-chloro-N-(1-quinolin-2-ylethyl)-5-(triazol-2-yl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-chloro-N-(1-quinolin-2-ylethyl)-5-(triazol-2-yl)pyrazine-2-carboxamide (CID 135375430) is 3-amino-6-chloro-N-(1-quinolin-2-ylethyl)-5-(triazol-2-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-chloro-N-(1-quinolin-2-ylethyl)-5-(triazol-2-yl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-chloro-N-(1-quinolin-2-ylethyl)-5-(triazol-2-yl)pyrazine-2-carboxamide is CC(NC(=O)c1nc(Cl)c(-n2nccn2)nc1N)c1ccc2ccccc2n1.
What is the InChIKey of 3-amino-6-chloro-N-(1-quinolin-2-ylethyl)-5-(triazol-2-yl)pyrazine-2-carboxamide?
The InChIKey is RBKTUWIFRIVCDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN8O/c1-10(12-7-6-11-4-2-3-5-13(11)24-12)23-18(28)14-16(20)26-17(15(19)25-14)27-21-8-9-22-27/h2-10H,1H3,(H2,20,26)(H,23,28).
What are the key properties of 3-amino-6-chloro-N-(1-quinolin-2-ylethyl)-5-(triazol-2-yl)pyrazine-2-carboxamide?
3-amino-6-chloro-N-(1-quinolin-2-ylethyl)-5-(triazol-2-yl)pyrazine-2-carboxamide has a molecular weight of 394.83 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-chloro-N-(1-quinolin-2-ylethyl)-5-(triazol-2-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 135375430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).