2-(2-chlorophenyl)-5-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyrazine

C19H15ClN6O — CID 44577982

IUPAC2-(2-chlorophenyl)-5-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyrazine
SMILESCOc1ccc(-n2c(C)nnc2-c2cnc(-c3ccccc3Cl)cn2)cn1
InChIInChI=1S/C19H15ClN6O/c1-12-24-25-19(26(12)13-7-8-18(27-2)23-9-13)17-11-21-16(10-22-17)14-5-3-4-6-15(14)20/h3-11H,1-2H3
InChIKeyYHTMCPVKXBVWSY-UHFFFAOYSA-N
MW378.82 g/mol
LogP3.76
Rot. Bonds4

About 2-(2-chlorophenyl)-5-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyrazine

2-(2-chlorophenyl)-5-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyrazine (PubChem CID 44577982) has the molecular formula C19H15ClN6O and a molecular weight of 378.82 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-5-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyrazine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-5-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyrazine
PubChem CID44577982
Molecular FormulaC19H15ClN6O
Molecular Weight378.82 g/mol
Exact Mass378.10
IUPAC Name2-(2-chlorophenyl)-5-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyrazine
SMILESCOc1ccc(-n2c(C)nnc2-c2cnc(-c3ccccc3Cl)cn2)cn1
InChIInChI=1S/C19H15ClN6O/c1-12-24-25-19(26(12)13-7-8-18(27-2)23-9-13)17-11-21-16(10-22-17)14-5-3-4-6-15(14)20/h3-11H,1-2H3
InChIKeyYHTMCPVKXBVWSY-UHFFFAOYSA-N
XLogP3.76
TPSA78.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.82
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-5-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyrazine?
The IUPAC name of 2-(2-chlorophenyl)-5-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyrazine (CID 44577982) is 2-(2-chlorophenyl)-5-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyrazine.
What is the SMILES notation for 2-(2-chlorophenyl)-5-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyrazine?
The canonical SMILES for 2-(2-chlorophenyl)-5-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyrazine is COc1ccc(-n2c(C)nnc2-c2cnc(-c3ccccc3Cl)cn2)cn1.
What is the InChIKey of 2-(2-chlorophenyl)-5-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyrazine?
The InChIKey is YHTMCPVKXBVWSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN6O/c1-12-24-25-19(26(12)13-7-8-18(27-2)23-9-13)17-11-21-16(10-22-17)14-5-3-4-6-15(14)20/h3-11H,1-2H3.
What are the key properties of 2-(2-chlorophenyl)-5-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyrazine?
2-(2-chlorophenyl)-5-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyrazine has a molecular weight of 378.82 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-5-[4-(6-methoxy-3-pyridinyl)-5-methyl-1,2,4-triazol-3-yl]pyrazine is sourced from PubChem (CID 44577982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).