7-chloro-1-[2-(triazol-1-yl)ethyl]-3H-imidazo[4,5-c]pyridine-2-thione

C10H9ClN6S — CID 114286106

IUPAC7-chloro-1-[2-(triazol-1-yl)ethyl]-3H-imidazo[4,5-c]pyridine-2-thione
SMILESS=c1[nH]c2cncc(Cl)c2n1CCn1ccnn1
InChIInChI=1S/C10H9ClN6S/c11-7-5-12-6-8-9(7)17(10(18)14-8)4-3-16-2-1-13-15-16/h1-2,5-6H,3-4H2,(H,14,18)
InChIKeyRQZXQBYJCSHJHO-UHFFFAOYSA-N
MW280.74 g/mol
LogP2.04
Rot. Bonds3

About 7-chloro-1-[2-(triazol-1-yl)ethyl]-3H-imidazo[4,5-c]pyridine-2-thione

7-chloro-1-[2-(triazol-1-yl)ethyl]-3H-imidazo[4,5-c]pyridine-2-thione (PubChem CID 114286106) has the molecular formula C10H9ClN6S and a molecular weight of 280.74 g/mol. Its IUPAC name is 7-chloro-1-[2-(triazol-1-yl)ethyl]-3H-imidazo[4,5-c]pyridine-2-thione.

Molecular Properties

Compound Name7-chloro-1-[2-(triazol-1-yl)ethyl]-3H-imidazo[4,5-c]pyridine-2-thione
PubChem CID114286106
Molecular FormulaC10H9ClN6S
Molecular Weight280.74 g/mol
Exact Mass280.03
IUPAC Name7-chloro-1-[2-(triazol-1-yl)ethyl]-3H-imidazo[4,5-c]pyridine-2-thione
SMILESS=c1[nH]c2cncc(Cl)c2n1CCn1ccnn1
InChIInChI=1S/C10H9ClN6S/c11-7-5-12-6-8-9(7)17(10(18)14-8)4-3-16-2-1-13-15-16/h1-2,5-6H,3-4H2,(H,14,18)
InChIKeyRQZXQBYJCSHJHO-UHFFFAOYSA-N
XLogP2.04
TPSA64.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.74
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

7-chloro-1-propyl-3H-imidazo[4,5-c]pyridine-2-thione
CID 130520524
7-chloro-3-[2-(triazol-1-yl)ethyl]-1H-benzimidazole-2-thione
CID 104836659
6-bromo-3-[2-(triazol-1-yl)ethyl]-1H-benzimidazole-2-thione
CID 113413013
2-sulfanylidene-3-[2-(triazol-1-yl)ethyl]-1H-benzimidazole-5-carbonitrile
CID 104714651
6-chloro-2-(chloromethyl)-3-[2-(triazol-1-yl)ethyl]imidazo[4,5-b]pyridine
CID 113413048
4-chloro-3-(5-methylhexyl)-1H-benzimidazole-2-thione
CID 113287669
4-chloro-3-[2-(1-methylpyrazol-4-yl)ethyl]-1H-benzimidazole-2-thione
CID 80688561
4-chloro-3-(3-ethoxypropyl)-1H-benzimidazole-2-thione
CID 43660096
4-chloro-3-[(1-methylpyrazol-3-yl)methyl]-1H-benzimidazole-2-thione
CID 82873820
4-chloro-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1H-benzimidazole-2-thione
CID 106034436
1-(2-piperidin-1-ylethyl)-3H-imidazo[4,5-c]pyridine-2-thione
CID 24839155
4-chloro-3-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1H-benzimidazole-2-thione
CID 80689450

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-[2-(triazol-1-yl)ethyl]-3H-imidazo[4,5-c]pyridine-2-thione?
The IUPAC name of 7-chloro-1-[2-(triazol-1-yl)ethyl]-3H-imidazo[4,5-c]pyridine-2-thione (CID 114286106) is 7-chloro-1-[2-(triazol-1-yl)ethyl]-3H-imidazo[4,5-c]pyridine-2-thione.
What is the SMILES notation for 7-chloro-1-[2-(triazol-1-yl)ethyl]-3H-imidazo[4,5-c]pyridine-2-thione?
The canonical SMILES for 7-chloro-1-[2-(triazol-1-yl)ethyl]-3H-imidazo[4,5-c]pyridine-2-thione is S=c1[nH]c2cncc(Cl)c2n1CCn1ccnn1.
What is the InChIKey of 7-chloro-1-[2-(triazol-1-yl)ethyl]-3H-imidazo[4,5-c]pyridine-2-thione?
The InChIKey is RQZXQBYJCSHJHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN6S/c11-7-5-12-6-8-9(7)17(10(18)14-8)4-3-16-2-1-13-15-16/h1-2,5-6H,3-4H2,(H,14,18).
What are the key properties of 7-chloro-1-[2-(triazol-1-yl)ethyl]-3H-imidazo[4,5-c]pyridine-2-thione?
7-chloro-1-[2-(triazol-1-yl)ethyl]-3H-imidazo[4,5-c]pyridine-2-thione has a molecular weight of 280.74 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-[2-(triazol-1-yl)ethyl]-3H-imidazo[4,5-c]pyridine-2-thione is sourced from PubChem (CID 114286106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).