1-[4-chloro-2-(2-methoxy-4-pyridinyl)phenyl]triazole-4-carbonitrile

C15H10ClN5O — CID 171779034

IUPAC1-[4-chloro-2-(2-methoxy-4-pyridinyl)phenyl]triazole-4-carbonitrile
SMILESCOc1cc(-c2cc(Cl)ccc2-n2cc(C#N)nn2)ccn1
InChIInChI=1S/C15H10ClN5O/c1-22-15-6-10(4-5-18-15)13-7-11(16)2-3-14(13)21-9-12(8-17)19-20-21/h2-7,9H,1H3
InChIKeyXOEMUZLXASMYDS-UHFFFAOYSA-N
MW311.73 g/mol
LogP2.86
Rot. Bonds3

About 1-[4-chloro-2-(2-methoxy-4-pyridinyl)phenyl]triazole-4-carbonitrile

1-[4-chloro-2-(2-methoxy-4-pyridinyl)phenyl]triazole-4-carbonitrile (PubChem CID 171779034) has the molecular formula C15H10ClN5O and a molecular weight of 311.73 g/mol. Its IUPAC name is 1-[4-chloro-2-(2-methoxy-4-pyridinyl)phenyl]triazole-4-carbonitrile.

Molecular Properties

Compound Name1-[4-chloro-2-(2-methoxy-4-pyridinyl)phenyl]triazole-4-carbonitrile
PubChem CID171779034
Molecular FormulaC15H10ClN5O
Molecular Weight311.73 g/mol
Exact Mass311.06
IUPAC Name1-[4-chloro-2-(2-methoxy-4-pyridinyl)phenyl]triazole-4-carbonitrile
SMILESCOc1cc(-c2cc(Cl)ccc2-n2cc(C#N)nn2)ccn1
InChIInChI=1S/C15H10ClN5O/c1-22-15-6-10(4-5-18-15)13-7-11(16)2-3-14(13)21-9-12(8-17)19-20-21/h2-7,9H,1H3
InChIKeyXOEMUZLXASMYDS-UHFFFAOYSA-N
XLogP2.86
TPSA76.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.73
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-chloro-2-(2-methoxy-4-pyridinyl)phenyl]triazole-4-carboxamide
CID 171779048
1-(4-chloro-2-ethylphenyl)triazole-4-carbonitrile
CID 134535025
1-[4-chloro-2-(5-fluoro-2-oxo-1H-pyridin-4-yl)phenyl]triazole-4-carbonitrile
CID 171779042
4-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-ethenyl-2-methoxypyridine
CID 167169918
4-[2-(4-bromotriazol-1-yl)-5-chlorophenyl]-6-methoxypyrimidine
CID 118277210
[1-[4-chloro-2-(6-methoxypyrimidin-4-yl)phenyl]triazol-4-yl]-dimethylsulfanium
CID 146838452
4-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-6-methoxypyrimidine
CID 118277361
1-[4-chloro-2-[1-(4-fluoro-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-14-yl)-6-oxopyrimidin-4-yl]phenyl]triazole-4-carbonitrile
CID 123237687
1-[4-chloro-2-[1-(3,9-dimethyl-8-oxo-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-13-yl)-6-oxopyrimidin-4-yl]phenyl]triazole-4-carbonitrile
CID 123461388
4-(2,6-dichlorophenyl)-2-methoxypyridine
CID 118852441
4-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-methoxy-1-methylpyrimidin-2-one
CID 167170017
14-[4-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-6-oxopyrimidin-1-yl]-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaene-5-carbonitrile
CID 123751196

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-2-(2-methoxy-4-pyridinyl)phenyl]triazole-4-carbonitrile?
The IUPAC name of 1-[4-chloro-2-(2-methoxy-4-pyridinyl)phenyl]triazole-4-carbonitrile (CID 171779034) is 1-[4-chloro-2-(2-methoxy-4-pyridinyl)phenyl]triazole-4-carbonitrile.
What is the SMILES notation for 1-[4-chloro-2-(2-methoxy-4-pyridinyl)phenyl]triazole-4-carbonitrile?
The canonical SMILES for 1-[4-chloro-2-(2-methoxy-4-pyridinyl)phenyl]triazole-4-carbonitrile is COc1cc(-c2cc(Cl)ccc2-n2cc(C#N)nn2)ccn1.
What is the InChIKey of 1-[4-chloro-2-(2-methoxy-4-pyridinyl)phenyl]triazole-4-carbonitrile?
The InChIKey is XOEMUZLXASMYDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN5O/c1-22-15-6-10(4-5-18-15)13-7-11(16)2-3-14(13)21-9-12(8-17)19-20-21/h2-7,9H,1H3.
What are the key properties of 1-[4-chloro-2-(2-methoxy-4-pyridinyl)phenyl]triazole-4-carbonitrile?
1-[4-chloro-2-(2-methoxy-4-pyridinyl)phenyl]triazole-4-carbonitrile has a molecular weight of 311.73 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-2-(2-methoxy-4-pyridinyl)phenyl]triazole-4-carbonitrile is sourced from PubChem (CID 171779034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).