4-[4-cyclopropyl-5-[2-(1-methylpyrrolidin-2-yl)ethylsulfanyl]-1,2,4-triazol-3-yl]pyridine

C17H23N5S — CID 75433528

IUPAC4-[4-cyclopropyl-5-[2-(1-methylpyrrolidin-2-yl)ethylsulfanyl]-1,2,4-triazol-3-yl]pyridine
SMILESCN1CCCC1CCSc1nnc(-c2ccncc2)n1C1CC1
InChIInChI=1S/C17H23N5S/c1-21-11-2-3-14(21)8-12-23-17-20-19-16(22(17)15-4-5-15)13-6-9-18-10-7-13/h6-7,9-10,14-15H,2-5,8,11-12H2,1H3
InChIKeySGHWFFRFCWLPKE-UHFFFAOYSA-N
MW329.47 g/mol
LogP3.25
Rot. Bonds6

About 4-[4-cyclopropyl-5-[2-(1-methylpyrrolidin-2-yl)ethylsulfanyl]-1,2,4-triazol-3-yl]pyridine

4-[4-cyclopropyl-5-[2-(1-methylpyrrolidin-2-yl)ethylsulfanyl]-1,2,4-triazol-3-yl]pyridine (PubChem CID 75433528) has the molecular formula C17H23N5S and a molecular weight of 329.47 g/mol. Its IUPAC name is 4-[4-cyclopropyl-5-[2-(1-methylpyrrolidin-2-yl)ethylsulfanyl]-1,2,4-triazol-3-yl]pyridine.

Molecular Properties

Compound Name4-[4-cyclopropyl-5-[2-(1-methylpyrrolidin-2-yl)ethylsulfanyl]-1,2,4-triazol-3-yl]pyridine
PubChem CID75433528
Molecular FormulaC17H23N5S
Molecular Weight329.47 g/mol
Exact Mass329.17
IUPAC Name4-[4-cyclopropyl-5-[2-(1-methylpyrrolidin-2-yl)ethylsulfanyl]-1,2,4-triazol-3-yl]pyridine
SMILESCN1CCCC1CCSc1nnc(-c2ccncc2)n1C1CC1
InChIInChI=1S/C17H23N5S/c1-21-11-2-3-14(21)8-12-23-17-20-19-16(22(17)15-4-5-15)13-6-9-18-10-7-13/h6-7,9-10,14-15H,2-5,8,11-12H2,1H3
InChIKeySGHWFFRFCWLPKE-UHFFFAOYSA-N
XLogP3.25
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[4-cyclopropyl-5-[2-(1-methylpyrrolidin-2-yl)ethylsulfanyl]-1,2,4-triazol-3-yl]pyridine with MolForge

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Related Compounds

4-(4-cyclohexyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyridine
CID 862853
(2R)-2-[2-[[4-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]-1-methylpiperidine
CID 2456466
1-ethyl-2-[2-[(2S)-1-methylpyrrolidin-2-yl]ethylsulfanyl]imidazole
CID 97327974
2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-methoxypropyl)acetamide
CID 8722568
N-(3-acetamidophenyl)-2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 8722573
2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-methylphenyl)acetamide
CID 8722460
4-[4-cyclopropyl-5-[(3-fluorophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine
CID 24670996
2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-prop-2-ynylacetamide
CID 8631279
2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-propan-2-ylphenyl)ethanone
CID 8722760
methyl 1-[2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidine-4-carboxylate
CID 8722606
2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(2,3,4,6-tetramethylphenyl)ethanone
CID 8722757
methyl 4-[[2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate
CID 8722497

Frequently Asked Questions

What is the IUPAC name of 4-[4-cyclopropyl-5-[2-(1-methylpyrrolidin-2-yl)ethylsulfanyl]-1,2,4-triazol-3-yl]pyridine?
The IUPAC name of 4-[4-cyclopropyl-5-[2-(1-methylpyrrolidin-2-yl)ethylsulfanyl]-1,2,4-triazol-3-yl]pyridine (CID 75433528) is 4-[4-cyclopropyl-5-[2-(1-methylpyrrolidin-2-yl)ethylsulfanyl]-1,2,4-triazol-3-yl]pyridine.
What is the SMILES notation for 4-[4-cyclopropyl-5-[2-(1-methylpyrrolidin-2-yl)ethylsulfanyl]-1,2,4-triazol-3-yl]pyridine?
The canonical SMILES for 4-[4-cyclopropyl-5-[2-(1-methylpyrrolidin-2-yl)ethylsulfanyl]-1,2,4-triazol-3-yl]pyridine is CN1CCCC1CCSc1nnc(-c2ccncc2)n1C1CC1.
What is the InChIKey of 4-[4-cyclopropyl-5-[2-(1-methylpyrrolidin-2-yl)ethylsulfanyl]-1,2,4-triazol-3-yl]pyridine?
The InChIKey is SGHWFFRFCWLPKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5S/c1-21-11-2-3-14(21)8-12-23-17-20-19-16(22(17)15-4-5-15)13-6-9-18-10-7-13/h6-7,9-10,14-15H,2-5,8,11-12H2,1H3.
What are the key properties of 4-[4-cyclopropyl-5-[2-(1-methylpyrrolidin-2-yl)ethylsulfanyl]-1,2,4-triazol-3-yl]pyridine?
4-[4-cyclopropyl-5-[2-(1-methylpyrrolidin-2-yl)ethylsulfanyl]-1,2,4-triazol-3-yl]pyridine has a molecular weight of 329.47 g/mol, XLogP of 3.25, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-cyclopropyl-5-[2-(1-methylpyrrolidin-2-yl)ethylsulfanyl]-1,2,4-triazol-3-yl]pyridine is sourced from PubChem (CID 75433528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).