4-hydrazinyl-N-(3-methylsulfinylpropyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine

C9H15N9OS — CID 113488474

IUPAC4-hydrazinyl-N-(3-methylsulfinylpropyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
SMILESCS(=O)CCCNc1nc(NN)nc(-n2cncn2)n1
InChIInChI=1S/C9H15N9OS/c1-20(19)4-2-3-12-7-14-8(17-10)16-9(15-7)18-6-11-5-13-18/h5-6H,2-4,10H2,1H3,(H2,12,14,15,16,17)
InChIKeyFXLCEMJNPYYBPM-UHFFFAOYSA-N
MW297.35 g/mol
LogP-1.08
Rot. Bonds7

About 4-hydrazinyl-N-(3-methylsulfinylpropyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine

4-hydrazinyl-N-(3-methylsulfinylpropyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine (PubChem CID 113488474) has the molecular formula C9H15N9OS and a molecular weight of 297.35 g/mol. Its IUPAC name is 4-hydrazinyl-N-(3-methylsulfinylpropyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-hydrazinyl-N-(3-methylsulfinylpropyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
PubChem CID113488474
Molecular FormulaC9H15N9OS
Molecular Weight297.35 g/mol
Exact Mass297.11
IUPAC Name4-hydrazinyl-N-(3-methylsulfinylpropyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
SMILESCS(=O)CCCNc1nc(NN)nc(-n2cncn2)n1
InChIInChI=1S/C9H15N9OS/c1-20(19)4-2-3-12-7-14-8(17-10)16-9(15-7)18-6-11-5-13-18/h5-6H,2-4,10H2,1H3,(H2,12,14,15,16,17)
InChIKeyFXLCEMJNPYYBPM-UHFFFAOYSA-N
XLogP-1.08
TPSA136.53 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 5-1.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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'}

Analyze 4-hydrazinyl-N-(3-methylsulfinylpropyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

4-hydrazinyl-N-(3-methoxypropyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80942901
2-[3-[[4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]propoxy]ethanol
CID 106311874
2-N,4-N-dipropyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80765612
4-hydrazinyl-N-(2-methylbutyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80919626
4-N-methyl-2-N-pentyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80785739
N-propyl-4,6-bis(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80853504
N-(cyclobutylmethyl)-4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80894340
4-N-ethyl-2-N-(4-methylpentyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80810899
3-[[4-(propylamino)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]propanamide
CID 80775795
2-N-(3-methylbutyl)-4-N-propyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80771756
5-[[[4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]methyl]pyrrolidin-2-one
CID 80910159
4-hydrazinyl-N-(thian-2-ylmethyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80929006

Frequently Asked Questions

What is the IUPAC name of 4-hydrazinyl-N-(3-methylsulfinylpropyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-hydrazinyl-N-(3-methylsulfinylpropyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine (CID 113488474) is 4-hydrazinyl-N-(3-methylsulfinylpropyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-hydrazinyl-N-(3-methylsulfinylpropyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-hydrazinyl-N-(3-methylsulfinylpropyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine is CS(=O)CCCNc1nc(NN)nc(-n2cncn2)n1.
What is the InChIKey of 4-hydrazinyl-N-(3-methylsulfinylpropyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
The InChIKey is FXLCEMJNPYYBPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N9OS/c1-20(19)4-2-3-12-7-14-8(17-10)16-9(15-7)18-6-11-5-13-18/h5-6H,2-4,10H2,1H3,(H2,12,14,15,16,17).
What are the key properties of 4-hydrazinyl-N-(3-methylsulfinylpropyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
4-hydrazinyl-N-(3-methylsulfinylpropyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine has a molecular weight of 297.35 g/mol, XLogP of -1.08, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydrazinyl-N-(3-methylsulfinylpropyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 113488474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).