1-ethyl-2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methylsulfanyl]imidazo[4,5-c]pyridine

C14H18N6S — CID 75435225

IUPAC1-ethyl-2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methylsulfanyl]imidazo[4,5-c]pyridine
SMILESCCn1c(C)nnc1CSc1nc2cnccc2n1CC
InChIInChI=1S/C14H18N6S/c1-4-19-10(3)17-18-13(19)9-21-14-16-11-8-15-7-6-12(11)20(14)5-2/h6-8H,4-5,9H2,1-3H3
InChIKeyJECBWPSNQALMHD-UHFFFAOYSA-N
MW302.41 g/mol
LogP2.66
Rot. Bonds5

About 1-ethyl-2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methylsulfanyl]imidazo[4,5-c]pyridine

1-ethyl-2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methylsulfanyl]imidazo[4,5-c]pyridine (PubChem CID 75435225) has the molecular formula C14H18N6S and a molecular weight of 302.41 g/mol. Its IUPAC name is 1-ethyl-2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methylsulfanyl]imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name1-ethyl-2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methylsulfanyl]imidazo[4,5-c]pyridine
PubChem CID75435225
Molecular FormulaC14H18N6S
Molecular Weight302.41 g/mol
Exact Mass302.13
IUPAC Name1-ethyl-2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methylsulfanyl]imidazo[4,5-c]pyridine
SMILESCCn1c(C)nnc1CSc1nc2cnccc2n1CC
InChIInChI=1S/C14H18N6S/c1-4-19-10(3)17-18-13(19)9-21-14-16-11-8-15-7-6-12(11)20(14)5-2/h6-8H,4-5,9H2,1-3H3
InChIKeyJECBWPSNQALMHD-UHFFFAOYSA-N
XLogP2.66
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.41
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methylsulfanyl]imidazo[4,5-c]pyridine?
The IUPAC name of 1-ethyl-2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methylsulfanyl]imidazo[4,5-c]pyridine (CID 75435225) is 1-ethyl-2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methylsulfanyl]imidazo[4,5-c]pyridine.
What is the SMILES notation for 1-ethyl-2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methylsulfanyl]imidazo[4,5-c]pyridine?
The canonical SMILES for 1-ethyl-2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methylsulfanyl]imidazo[4,5-c]pyridine is CCn1c(C)nnc1CSc1nc2cnccc2n1CC.
What is the InChIKey of 1-ethyl-2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methylsulfanyl]imidazo[4,5-c]pyridine?
The InChIKey is JECBWPSNQALMHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6S/c1-4-19-10(3)17-18-13(19)9-21-14-16-11-8-15-7-6-12(11)20(14)5-2/h6-8H,4-5,9H2,1-3H3.
What are the key properties of 1-ethyl-2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methylsulfanyl]imidazo[4,5-c]pyridine?
1-ethyl-2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methylsulfanyl]imidazo[4,5-c]pyridine has a molecular weight of 302.41 g/mol, XLogP of 2.66, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methylsulfanyl]imidazo[4,5-c]pyridine is sourced from PubChem (CID 75435225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).