3-amino-6-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]-5-(triazol-2-yl)pyrazine-2-carboxamide

C15H14ClN7O2 — CID 135375507

IUPAC3-amino-6-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]-5-(triazol-2-yl)pyrazine-2-carboxamide
SMILESNc1nc(-n2nccn2)c(Cl)nc1C(=O)N[C@@H](CO)c1ccccc1
InChIInChI=1S/C15H14ClN7O2/c16-12-14(23-18-6-7-19-23)22-13(17)11(21-12)15(25)20-10(8-24)9-4-2-1-3-5-9/h1-7,10,24H,8H2,(H2,17,22)(H,20,25)/t10-/m0/s1
InChIKeyLKYONAGLPJVYNF-JTQLQIEISA-N
MW359.78 g/mol
LogP0.76
Rot. Bonds5

About 3-amino-6-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]-5-(triazol-2-yl)pyrazine-2-carboxamide

3-amino-6-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]-5-(triazol-2-yl)pyrazine-2-carboxamide (PubChem CID 135375507) has the molecular formula C15H14ClN7O2 and a molecular weight of 359.78 g/mol. Its IUPAC name is 3-amino-6-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]-5-(triazol-2-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]-5-(triazol-2-yl)pyrazine-2-carboxamide
PubChem CID135375507
Molecular FormulaC15H14ClN7O2
Molecular Weight359.78 g/mol
Exact Mass359.09
IUPAC Name3-amino-6-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]-5-(triazol-2-yl)pyrazine-2-carboxamide
SMILESNc1nc(-n2nccn2)c(Cl)nc1C(=O)N[C@@H](CO)c1ccccc1
InChIInChI=1S/C15H14ClN7O2/c16-12-14(23-18-6-7-19-23)22-13(17)11(21-12)15(25)20-10(8-24)9-4-2-1-3-5-9/h1-7,10,24H,8H2,(H2,17,22)(H,20,25)/t10-/m0/s1
InChIKeyLKYONAGLPJVYNF-JTQLQIEISA-N
XLogP0.76
TPSA131.84 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.78
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 3-amino-6-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]-5-(triazol-2-yl)pyrazine-2-carboxamide with MolForge

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Related Compounds

3-amino-6-chloro-N-(2-hydroxy-1-phenylethyl)-5-(4-methylpyrazol-1-yl)pyrazine-2-carboxamide
CID 135375431
2-amino-3-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide
CID 107861897
3-amino-6-chloro-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-(triazol-2-yl)pyrazine-2-carboxamide
CID 121351001
5-chloro-N-(2-hydroxy-1-phenylethyl)thiophene-2-carboxamide
CID 63182495
6-chloro-N-(2-hydroxy-1-phenylethyl)pyridine-2-carboxamide
CID 55160768
2-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide
CID 39374837
4-amino-N-[(1S)-2-hydroxy-1-phenylethyl]-1-methylpyrazole-5-carboxamide
CID 107861729
N-(2-hydroxy-1-phenylethyl)benzamide
CID 14150746
4-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
CID 1480121
3-amino-4-chloro-N-(2-hydroxy-1-phenylethyl)benzamide
CID 63184761
(2R)-2-amino-2-phenylethanol;2-N,6-N-bis[(1R)-2-hydroxy-1-phenylethyl]pyridine-2,6-dicarboxamide;pyridine-2,6-dicarbonyl chloride
CID 160921286
N-(2-hydroxy-1-phenylethyl)benzamide;hydrochloride
CID 175746997

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]-5-(triazol-2-yl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]-5-(triazol-2-yl)pyrazine-2-carboxamide (CID 135375507) is 3-amino-6-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]-5-(triazol-2-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]-5-(triazol-2-yl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]-5-(triazol-2-yl)pyrazine-2-carboxamide is Nc1nc(-n2nccn2)c(Cl)nc1C(=O)N[C@@H](CO)c1ccccc1.
What is the InChIKey of 3-amino-6-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]-5-(triazol-2-yl)pyrazine-2-carboxamide?
The InChIKey is LKYONAGLPJVYNF-JTQLQIEISA-N. The full InChI is InChI=1S/C15H14ClN7O2/c16-12-14(23-18-6-7-19-23)22-13(17)11(21-12)15(25)20-10(8-24)9-4-2-1-3-5-9/h1-7,10,24H,8H2,(H2,17,22)(H,20,25)/t10-/m0/s1.
What are the key properties of 3-amino-6-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]-5-(triazol-2-yl)pyrazine-2-carboxamide?
3-amino-6-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]-5-(triazol-2-yl)pyrazine-2-carboxamide has a molecular weight of 359.78 g/mol, XLogP of 0.76, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]-5-(triazol-2-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 135375507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).