3-amino-6-chloro-N-(quinolin-8-ylmethyl)-5-(triazol-1-yl)pyrazine-2-carboxamide

C17H13ClN8O — CID 121351246

IUPAC3-amino-6-chloro-N-(quinolin-8-ylmethyl)-5-(triazol-1-yl)pyrazine-2-carboxamide
SMILESNc1nc(-n2ccnn2)c(Cl)nc1C(=O)NCc1cccc2cccnc12
InChIInChI=1S/C17H13ClN8O/c18-14-16(26-8-7-22-25-26)24-15(19)13(23-14)17(27)21-9-11-4-1-3-10-5-2-6-20-12(10)11/h1-8H,9H2,(H2,19,24)(H,21,27)
InChIKeyXEUNJKUPIYYXMO-UHFFFAOYSA-N
MW380.80 g/mol
LogP1.77
Rot. Bonds4

About 3-amino-6-chloro-N-(quinolin-8-ylmethyl)-5-(triazol-1-yl)pyrazine-2-carboxamide

3-amino-6-chloro-N-(quinolin-8-ylmethyl)-5-(triazol-1-yl)pyrazine-2-carboxamide (PubChem CID 121351246) has the molecular formula C17H13ClN8O and a molecular weight of 380.80 g/mol. Its IUPAC name is 3-amino-6-chloro-N-(quinolin-8-ylmethyl)-5-(triazol-1-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-chloro-N-(quinolin-8-ylmethyl)-5-(triazol-1-yl)pyrazine-2-carboxamide
PubChem CID121351246
Molecular FormulaC17H13ClN8O
Molecular Weight380.80 g/mol
Exact Mass380.09
IUPAC Name3-amino-6-chloro-N-(quinolin-8-ylmethyl)-5-(triazol-1-yl)pyrazine-2-carboxamide
SMILESNc1nc(-n2ccnn2)c(Cl)nc1C(=O)NCc1cccc2cccnc12
InChIInChI=1S/C17H13ClN8O/c18-14-16(26-8-7-22-25-26)24-15(19)13(23-14)17(27)21-9-11-4-1-3-10-5-2-6-20-12(10)11/h1-8H,9H2,(H2,19,24)(H,21,27)
InChIKeyXEUNJKUPIYYXMO-UHFFFAOYSA-N
XLogP1.77
TPSA124.50 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.80
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

3-amino-6-cyano-5-pyrazol-1-yl-N-(quinolin-8-ylmethyl)pyrazine-2-carboxamide
CID 121351050
3-amino-6-methyl-N-[(3-methyl-2-pyridinyl)methyl]-5-(triazol-1-yl)pyrazine-2-carboxamide
CID 135375450
3-amino-6-chloro-N-[(2-methoxyphenyl)methyl]-5-(triazol-2-yl)pyrazine-2-carboxamide
CID 121351482
2-fluoro-N-(quinolin-8-ylmethyl)pyridine-3-carboxamide
CID 107358803
N-(quinolin-8-ylmethyl)-2-sulfanylacetamide
CID 81423056
3-amino-6-(difluoromethyl)-5-(4-methylpyrazol-1-yl)-N-(quinolin-8-ylmethyl)pyrazine-2-carboxamide;3-amino-6-formyl-5-(4-methylpyrazol-1-yl)-N-(quinolin-8-ylmethyl)pyrazine-2-carboxamide
CID 135375629
N-[(2-chlorophenyl)methyl]-2-quinolin-8-ylacetamide
CID 51307001
2-hydrazinyl-2-oxo-N-(quinolin-8-ylmethyl)acetamide
CID 69377520
4-chloro-N-(quinolin-8-ylmethyl)-1H-pyrrole-2-carboxamide
CID 47469164
2-bromo-N-(quinolin-8-ylmethyl)pyridine-3-carboxamide
CID 103754998
2-amino-N-(quinolin-8-ylmethyl)propanamide
CID 81427001
N-(quinolin-8-ylmethyl)-1H-pyrrole-2-carboxamide
CID 110470876

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-chloro-N-(quinolin-8-ylmethyl)-5-(triazol-1-yl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-chloro-N-(quinolin-8-ylmethyl)-5-(triazol-1-yl)pyrazine-2-carboxamide (CID 121351246) is 3-amino-6-chloro-N-(quinolin-8-ylmethyl)-5-(triazol-1-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-chloro-N-(quinolin-8-ylmethyl)-5-(triazol-1-yl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-chloro-N-(quinolin-8-ylmethyl)-5-(triazol-1-yl)pyrazine-2-carboxamide is Nc1nc(-n2ccnn2)c(Cl)nc1C(=O)NCc1cccc2cccnc12.
What is the InChIKey of 3-amino-6-chloro-N-(quinolin-8-ylmethyl)-5-(triazol-1-yl)pyrazine-2-carboxamide?
The InChIKey is XEUNJKUPIYYXMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN8O/c18-14-16(26-8-7-22-25-26)24-15(19)13(23-14)17(27)21-9-11-4-1-3-10-5-2-6-20-12(10)11/h1-8H,9H2,(H2,19,24)(H,21,27).
What are the key properties of 3-amino-6-chloro-N-(quinolin-8-ylmethyl)-5-(triazol-1-yl)pyrazine-2-carboxamide?
3-amino-6-chloro-N-(quinolin-8-ylmethyl)-5-(triazol-1-yl)pyrazine-2-carboxamide has a molecular weight of 380.80 g/mol, XLogP of 1.77, 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-(quinolin-8-ylmethyl)-5-(triazol-1-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 121351246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).