2-[(1-methyl-4-phenylimidazol-2-yl)methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carbonitrile

C18H14N6S — CID 44547666

IUPAC2-[(1-methyl-4-phenylimidazol-2-yl)methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carbonitrile
SMILESCn1cc(-c2ccccc2)nc1CSc1nc2ccc(C#N)cn2n1
InChIInChI=1S/C18H14N6S/c1-23-11-15(14-5-3-2-4-6-14)20-17(23)12-25-18-21-16-8-7-13(9-19)10-24(16)22-18/h2-8,10-11H,12H2,1H3
InChIKeyHGDPKFWRPJOFPE-UHFFFAOYSA-N
MW346.42 g/mol
LogP3.29
Rot. Bonds4

About 2-[(1-methyl-4-phenylimidazol-2-yl)methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carbonitrile

2-[(1-methyl-4-phenylimidazol-2-yl)methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carbonitrile (PubChem CID 44547666) has the molecular formula C18H14N6S and a molecular weight of 346.42 g/mol. Its IUPAC name is 2-[(1-methyl-4-phenylimidazol-2-yl)methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carbonitrile.

Molecular Properties

Compound Name2-[(1-methyl-4-phenylimidazol-2-yl)methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carbonitrile
PubChem CID44547666
Molecular FormulaC18H14N6S
Molecular Weight346.42 g/mol
Exact Mass346.10
IUPAC Name2-[(1-methyl-4-phenylimidazol-2-yl)methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carbonitrile
SMILESCn1cc(-c2ccccc2)nc1CSc1nc2ccc(C#N)cn2n1
InChIInChI=1S/C18H14N6S/c1-23-11-15(14-5-3-2-4-6-14)20-17(23)12-25-18-21-16-8-7-13(9-19)10-24(16)22-18/h2-8,10-11H,12H2,1H3
InChIKeyHGDPKFWRPJOFPE-UHFFFAOYSA-N
XLogP3.29
TPSA71.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.42
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-methyl-4-phenylimidazol-2-yl)methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carbonitrile?
The IUPAC name of 2-[(1-methyl-4-phenylimidazol-2-yl)methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carbonitrile (CID 44547666) is 2-[(1-methyl-4-phenylimidazol-2-yl)methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carbonitrile.
What is the SMILES notation for 2-[(1-methyl-4-phenylimidazol-2-yl)methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carbonitrile?
The canonical SMILES for 2-[(1-methyl-4-phenylimidazol-2-yl)methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carbonitrile is Cn1cc(-c2ccccc2)nc1CSc1nc2ccc(C#N)cn2n1.
What is the InChIKey of 2-[(1-methyl-4-phenylimidazol-2-yl)methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carbonitrile?
The InChIKey is HGDPKFWRPJOFPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N6S/c1-23-11-15(14-5-3-2-4-6-14)20-17(23)12-25-18-21-16-8-7-13(9-19)10-24(16)22-18/h2-8,10-11H,12H2,1H3.
What are the key properties of 2-[(1-methyl-4-phenylimidazol-2-yl)methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carbonitrile?
2-[(1-methyl-4-phenylimidazol-2-yl)methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carbonitrile has a molecular weight of 346.42 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methyl-4-phenylimidazol-2-yl)methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carbonitrile is sourced from PubChem (CID 44547666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).