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

C12H16N8S — CID 80924947

IUPAC[4-(5-methylpyrimidin-2-yl)sulfanyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazine
SMILESCc1cnc(Sc2nc(NN)nc(N3CCCC3)n2)nc1
InChIInChI=1S/C12H16N8S/c1-8-6-14-11(15-7-8)21-12-17-9(19-13)16-10(18-12)20-4-2-3-5-20/h6-7H,2-5,13H2,1H3,(H,16,17,18,19)
InChIKeyXSBOINVCEDCUND-UHFFFAOYSA-N
MW304.38 g/mol
LogP1.01
Rot. Bonds4

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

[4-(5-methylpyrimidin-2-yl)sulfanyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazine (PubChem CID 80924947) has the molecular formula C12H16N8S and a molecular weight of 304.38 g/mol. Its IUPAC name is [4-(5-methylpyrimidin-2-yl)sulfanyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(5-methylpyrimidin-2-yl)sulfanyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazine
PubChem CID80924947
Molecular FormulaC12H16N8S
Molecular Weight304.38 g/mol
Exact Mass304.12
IUPAC Name[4-(5-methylpyrimidin-2-yl)sulfanyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazine
SMILESCc1cnc(Sc2nc(NN)nc(N3CCCC3)n2)nc1
InChIInChI=1S/C12H16N8S/c1-8-6-14-11(15-7-8)21-12-17-9(19-13)16-10(18-12)20-4-2-3-5-20/h6-7H,2-5,13H2,1H3,(H,16,17,18,19)
InChIKeyXSBOINVCEDCUND-UHFFFAOYSA-N
XLogP1.01
TPSA105.74 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze [4-(5-methylpyrimidin-2-yl)sulfanyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-pyrimidin-2-ylsulfanyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)hydrazine
CID 80924900
[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazine
CID 80923798
[4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-6-piperidin-1-yl-1,3,5-triazin-2-yl]hydrazine
CID 80925112
[4-pyrrolidin-1-yl-6-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3,5-triazin-2-yl]hydrazine
CID 80922351
(4-piperidin-1-yl-6-pyrimidin-4-ylsulfanyl-1,3,5-triazin-2-yl)hydrazine
CID 80928949
(4-ethylsulfanyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)hydrazine
CID 80925076
[4-pyrrolidin-1-yl-6-(1,3,4-thiadiazol-2-ylsulfanyl)-1,3,5-triazin-2-yl]hydrazine
CID 80930406
(4-butan-2-ylsulfanyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)hydrazine
CID 80924912
(4-piperidin-1-yl-6-thiophen-2-ylsulfanyl-1,3,5-triazin-2-yl)hydrazine
CID 80925437
(4-cyclohexylsulfanyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)hydrazine
CID 80923900
[4-(3-methoxypropylsulfanyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazine
CID 80929189
[4-methyl-6-(5-methylpyrimidin-2-yl)sulfanylpyrimidin-2-yl]hydrazine
CID 80923071

Frequently Asked Questions

What is the IUPAC name of [4-(5-methylpyrimidin-2-yl)sulfanyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazine?
The IUPAC name of [4-(5-methylpyrimidin-2-yl)sulfanyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazine (CID 80924947) is [4-(5-methylpyrimidin-2-yl)sulfanyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazine.
What is the SMILES notation for [4-(5-methylpyrimidin-2-yl)sulfanyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazine?
The canonical SMILES for [4-(5-methylpyrimidin-2-yl)sulfanyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazine is Cc1cnc(Sc2nc(NN)nc(N3CCCC3)n2)nc1.
What is the InChIKey of [4-(5-methylpyrimidin-2-yl)sulfanyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazine?
The InChIKey is XSBOINVCEDCUND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N8S/c1-8-6-14-11(15-7-8)21-12-17-9(19-13)16-10(18-12)20-4-2-3-5-20/h6-7H,2-5,13H2,1H3,(H,16,17,18,19).
What are the key properties of [4-(5-methylpyrimidin-2-yl)sulfanyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazine?
[4-(5-methylpyrimidin-2-yl)sulfanyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazine has a molecular weight of 304.38 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-methylpyrimidin-2-yl)sulfanyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazine is sourced from PubChem (CID 80924947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).