[4-(3-methoxypropylsulfanyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazine

C11H20N6OS — CID 80929189

IUPAC[4-(3-methoxypropylsulfanyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazine
SMILESCOCCCSc1nc(NN)nc(N2CCCC2)n1
InChIInChI=1S/C11H20N6OS/c1-18-7-4-8-19-11-14-9(16-12)13-10(15-11)17-5-2-3-6-17/h2-8,12H2,1H3,(H,13,14,15,16)
InChIKeyGYRORDOJVGXPQO-UHFFFAOYSA-N
MW284.39 g/mol
LogP0.89
Rot. Bonds7

About [4-(3-methoxypropylsulfanyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazine

[4-(3-methoxypropylsulfanyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazine (PubChem CID 80929189) has the molecular formula C11H20N6OS and a molecular weight of 284.39 g/mol. Its IUPAC name is [4-(3-methoxypropylsulfanyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(3-methoxypropylsulfanyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazine
PubChem CID80929189
Molecular FormulaC11H20N6OS
Molecular Weight284.39 g/mol
Exact Mass284.14
IUPAC Name[4-(3-methoxypropylsulfanyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazine
SMILESCOCCCSc1nc(NN)nc(N2CCCC2)n1
InChIInChI=1S/C11H20N6OS/c1-18-7-4-8-19-11-14-9(16-12)13-10(15-11)17-5-2-3-6-17/h2-8,12H2,1H3,(H,13,14,15,16)
InChIKeyGYRORDOJVGXPQO-UHFFFAOYSA-N
XLogP0.89
TPSA89.19 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(4-ethylsulfanyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)hydrazine
CID 80925076
4-butylsulfanyl-N-methyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80885060
[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazine
CID 80923798
(4-butan-2-ylsulfanyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)hydrazine
CID 80924912
1-[(4-hydrazinyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-3-methoxypropan-2-ol
CID 80912177
(4-cyclohexylsulfanyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)hydrazine
CID 80923900
(4-pyrimidin-2-ylsulfanyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)hydrazine
CID 80924900
[4-(5-methylpyrimidin-2-yl)sulfanyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazine
CID 80924947
N-(2,2-dimethylpropyl)-4-hydrazinyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80899003
2-N-(3-methoxypropyl)-4-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80772736
N-ethyl-4-hydrazinyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80932196
[4-pyrrolidin-1-yl-6-(1,3,4-thiadiazol-2-ylsulfanyl)-1,3,5-triazin-2-yl]hydrazine
CID 80930406

Frequently Asked Questions

What is the IUPAC name of [4-(3-methoxypropylsulfanyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazine?
The IUPAC name of [4-(3-methoxypropylsulfanyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazine (CID 80929189) is [4-(3-methoxypropylsulfanyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazine.
What is the SMILES notation for [4-(3-methoxypropylsulfanyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazine?
The canonical SMILES for [4-(3-methoxypropylsulfanyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazine is COCCCSc1nc(NN)nc(N2CCCC2)n1.
What is the InChIKey of [4-(3-methoxypropylsulfanyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazine?
The InChIKey is GYRORDOJVGXPQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N6OS/c1-18-7-4-8-19-11-14-9(16-12)13-10(15-11)17-5-2-3-6-17/h2-8,12H2,1H3,(H,13,14,15,16).
What are the key properties of [4-(3-methoxypropylsulfanyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazine?
[4-(3-methoxypropylsulfanyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazine has a molecular weight of 284.39 g/mol, XLogP of 0.89, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methoxypropylsulfanyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazine is sourced from PubChem (CID 80929189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).