4-[(4Z,6Z)-nona-4,6,8-trienyl]sulfanyl-6-(2-pyridin-2-ylethylsulfanyl)-1,3,5-triazin-2-amine

C19H23N5S2 — CID 139551703

IUPAC4-[(4Z,6Z)-nona-4,6,8-trienyl]sulfanyl-6-(2-pyridin-2-ylethylsulfanyl)-1,3,5-triazin-2-amine
SMILESC=C/C=C\C=C/CCCSc1nc(N)nc(SCCc2ccccn2)n1
InChIInChI=1S/C19H23N5S2/c1-2-3-4-5-6-7-10-14-25-18-22-17(20)23-19(24-18)26-15-12-16-11-8-9-13-21-16/h2-6,8-9,11,13H,1,7,10,12,14-15H2,(H2,20,22,23,24)/b4-3-,6-5-
InChIKeySJYVIRDQMDCICO-OUPQRBNQSA-N
MW385.56 g/mol
LogP4.35
Rot. Bonds11

About 4-[(4Z,6Z)-nona-4,6,8-trienyl]sulfanyl-6-(2-pyridin-2-ylethylsulfanyl)-1,3,5-triazin-2-amine

4-[(4Z,6Z)-nona-4,6,8-trienyl]sulfanyl-6-(2-pyridin-2-ylethylsulfanyl)-1,3,5-triazin-2-amine (PubChem CID 139551703) has the molecular formula C19H23N5S2 and a molecular weight of 385.56 g/mol. Its IUPAC name is 4-[(4Z,6Z)-nona-4,6,8-trienyl]sulfanyl-6-(2-pyridin-2-ylethylsulfanyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[(4Z,6Z)-nona-4,6,8-trienyl]sulfanyl-6-(2-pyridin-2-ylethylsulfanyl)-1,3,5-triazin-2-amine
PubChem CID139551703
Molecular FormulaC19H23N5S2
Molecular Weight385.56 g/mol
Exact Mass385.14
IUPAC Name4-[(4Z,6Z)-nona-4,6,8-trienyl]sulfanyl-6-(2-pyridin-2-ylethylsulfanyl)-1,3,5-triazin-2-amine
SMILESC=C/C=C\C=C/CCCSc1nc(N)nc(SCCc2ccccn2)n1
InChIInChI=1S/C19H23N5S2/c1-2-3-4-5-6-7-10-14-25-18-22-17(20)23-19(24-18)26-15-12-16-11-8-9-13-21-16/h2-6,8-9,11,13H,1,7,10,12,14-15H2,(H2,20,22,23,24)/b4-3-,6-5-
InChIKeySJYVIRDQMDCICO-OUPQRBNQSA-N
XLogP4.35
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.56
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-[(4Z,6Z)-nona-4,6,8-trienyl]sulfanyl-6-(2-pyridin-2-ylethylsulfanyl)-1,3,5-triazin-2-amine with MolForge

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Related Compounds

2-(2-pyridin-2-ylethylsulfanyl)aniline
CID 12029846
2-amino-4,6-bis(2-pyridin-2-ylethylsulfanyl)pyrimidine-5-carbonitrile
CID 18507436
2-[2-(2-chlorophenyl)sulfanylethyl]pyridine
CID 78815813
2-hex-4-enylpyridine
CID 174507430
2-oct-7-enylpyridine
CID 57031977
5-(2-pyridin-2-ylethylsulfanyl)-1,3,4-thiadiazol-2-amine
CID 14880955
2-but-3-enylsulfanylpyridine
CID 15727474
2-(2-pyridin-2-ylethylsulfanyl)-5-(trifluoromethyl)aniline
CID 60890511
2-(14-pyridin-2-yltetradecyl)pyridine
CID 10594187
4-methyl-2-(2-pyridin-2-ylethylsulfanyl)-1H-pyrimidin-6-one
CID 139462677
4-N-methyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine
CID 80765765
2-[2-(3,4-dichlorophenyl)sulfanylethyl]pyridine
CID 873007

Frequently Asked Questions

What is the IUPAC name of 4-[(4Z,6Z)-nona-4,6,8-trienyl]sulfanyl-6-(2-pyridin-2-ylethylsulfanyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-[(4Z,6Z)-nona-4,6,8-trienyl]sulfanyl-6-(2-pyridin-2-ylethylsulfanyl)-1,3,5-triazin-2-amine (CID 139551703) is 4-[(4Z,6Z)-nona-4,6,8-trienyl]sulfanyl-6-(2-pyridin-2-ylethylsulfanyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[(4Z,6Z)-nona-4,6,8-trienyl]sulfanyl-6-(2-pyridin-2-ylethylsulfanyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[(4Z,6Z)-nona-4,6,8-trienyl]sulfanyl-6-(2-pyridin-2-ylethylsulfanyl)-1,3,5-triazin-2-amine is C=C/C=C\C=C/CCCSc1nc(N)nc(SCCc2ccccn2)n1.
What is the InChIKey of 4-[(4Z,6Z)-nona-4,6,8-trienyl]sulfanyl-6-(2-pyridin-2-ylethylsulfanyl)-1,3,5-triazin-2-amine?
The InChIKey is SJYVIRDQMDCICO-OUPQRBNQSA-N. The full InChI is InChI=1S/C19H23N5S2/c1-2-3-4-5-6-7-10-14-25-18-22-17(20)23-19(24-18)26-15-12-16-11-8-9-13-21-16/h2-6,8-9,11,13H,1,7,10,12,14-15H2,(H2,20,22,23,24)/b4-3-,6-5-.
What are the key properties of 4-[(4Z,6Z)-nona-4,6,8-trienyl]sulfanyl-6-(2-pyridin-2-ylethylsulfanyl)-1,3,5-triazin-2-amine?
4-[(4Z,6Z)-nona-4,6,8-trienyl]sulfanyl-6-(2-pyridin-2-ylethylsulfanyl)-1,3,5-triazin-2-amine has a molecular weight of 385.56 g/mol, XLogP of 4.35, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4Z,6Z)-nona-4,6,8-trienyl]sulfanyl-6-(2-pyridin-2-ylethylsulfanyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 139551703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).