4-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine

C16H22N4S — CID 62722912

IUPAC4-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
SMILESCn1nc(C2CCCCC2)nc1C1NCCc2sccc21
InChIInChI=1S/C16H22N4S/c1-20-16(14-12-8-10-21-13(12)7-9-17-14)18-15(19-20)11-5-3-2-4-6-11/h8,10-11,14,17H,2-7,9H2,1H3
InChIKeyQATKYIQXHFDPCB-UHFFFAOYSA-N
MW302.45 g/mol
LogP3.16
Rot. Bonds2

About 4-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine

4-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine (PubChem CID 62722912) has the molecular formula C16H22N4S and a molecular weight of 302.45 g/mol. Its IUPAC name is 4-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine.

Molecular Properties

Compound Name4-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
PubChem CID62722912
Molecular FormulaC16H22N4S
Molecular Weight302.45 g/mol
Exact Mass302.16
IUPAC Name4-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
SMILESCn1nc(C2CCCCC2)nc1C1NCCc2sccc21
InChIInChI=1S/C16H22N4S/c1-20-16(14-12-8-10-21-13(12)7-9-17-14)18-15(19-20)11-5-3-2-4-6-11/h8,10-11,14,17H,2-7,9H2,1H3
InChIKeyQATKYIQXHFDPCB-UHFFFAOYSA-N
XLogP3.16
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.45
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine with MolForge

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Related Compounds

4-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
CID 62721784
1-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroisoquinoline
CID 62720718
3-cyclopentyl-1-methyl-5-pyrrolidin-2-yl-1,2,4-triazole
CID 62722373
2-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)thiophen-3-amine
CID 62721642
2-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)cyclohexan-1-amine
CID 64815858
3-piperidin-1-yl-5-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-4-yl)-1,2,4-oxadiazole
CID 116807334
(4R)-4-thiophen-2-yl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
CID 7130977
4-(5-bromo-4-methyl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
CID 165477878
4-(6-chloro-1-ethylbenzimidazol-2-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
CID 115472705
4-(1-methylcyclohexyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
CID 165478171
(1S,6R)-6-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)cyclohex-3-ene-1-carboxylic acid
CID 104963303
1-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrazol-3-amine
CID 62841267

Frequently Asked Questions

What is the IUPAC name of 4-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine?
The IUPAC name of 4-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine (CID 62722912) is 4-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine.
What is the SMILES notation for 4-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine?
The canonical SMILES for 4-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine is Cn1nc(C2CCCCC2)nc1C1NCCc2sccc21.
What is the InChIKey of 4-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine?
The InChIKey is QATKYIQXHFDPCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4S/c1-20-16(14-12-8-10-21-13(12)7-9-17-14)18-15(19-20)11-5-3-2-4-6-11/h8,10-11,14,17H,2-7,9H2,1H3.
What are the key properties of 4-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine?
4-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine has a molecular weight of 302.45 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine is sourced from PubChem (CID 62722912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).