4-hydrazinyl-N-(2-methylsulfonylethyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine

C9H14N8O2S — CID 80898787

IUPAC4-hydrazinyl-N-(2-methylsulfonylethyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
SMILESCS(=O)(=O)CCNc1nc(NN)nc(-n2cccn2)n1
InChIInChI=1S/C9H14N8O2S/c1-20(18,19)6-4-11-7-13-8(16-10)15-9(14-7)17-5-2-3-12-17/h2-3,5H,4,6,10H2,1H3,(H2,11,13,14,15,16)
InChIKeyIXXIVBMKQDHWJR-UHFFFAOYSA-N
MW298.33 g/mol
LogP-1.20
Rot. Bonds6

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

4-hydrazinyl-N-(2-methylsulfonylethyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine (PubChem CID 80898787) has the molecular formula C9H14N8O2S and a molecular weight of 298.33 g/mol. Its IUPAC name is 4-hydrazinyl-N-(2-methylsulfonylethyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-hydrazinyl-N-(2-methylsulfonylethyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
PubChem CID80898787
Molecular FormulaC9H14N8O2S
Molecular Weight298.33 g/mol
Exact Mass298.10
IUPAC Name4-hydrazinyl-N-(2-methylsulfonylethyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
SMILESCS(=O)(=O)CCNc1nc(NN)nc(-n2cccn2)n1
InChIInChI=1S/C9H14N8O2S/c1-20(18,19)6-4-11-7-13-8(16-10)15-9(14-7)17-5-2-3-12-17/h2-3,5H,4,6,10H2,1H3,(H2,11,13,14,15,16)
InChIKeyIXXIVBMKQDHWJR-UHFFFAOYSA-N
XLogP-1.20
TPSA140.71 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.33
LogP ≤ 5-1.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

2-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]ethanol
CID 80932632
2-[[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]ethanesulfonamide
CID 80786835
4-hydrazinyl-N-(2-propan-2-yloxyethyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 113451062
4-hydrazinyl-N-(1-methylsulfonylpropan-2-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80910646
ethyl 2-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]acetate
CID 80898546
2-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-N,N-dimethylacetamide
CID 80894247
4-hydrazinyl-N-(2-methylsulfonylethyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 80898859
5-[[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]methyl]pyrrolidin-2-one
CID 80909185
4-hydrazinyl-6-pyrazol-1-yl-N-(2,2,3,3-tetrafluoropropyl)-1,3,5-triazin-2-amine
CID 106294468
N-[(3-bromothiophen-2-yl)methyl]-4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80929302
1-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-3-methoxypropan-2-ol
CID 80911229
2-N-butyl-4-N-ethyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80785977

Frequently Asked Questions

What is the IUPAC name of 4-hydrazinyl-N-(2-methylsulfonylethyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-hydrazinyl-N-(2-methylsulfonylethyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine (CID 80898787) is 4-hydrazinyl-N-(2-methylsulfonylethyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-hydrazinyl-N-(2-methylsulfonylethyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-hydrazinyl-N-(2-methylsulfonylethyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine is CS(=O)(=O)CCNc1nc(NN)nc(-n2cccn2)n1.
What is the InChIKey of 4-hydrazinyl-N-(2-methylsulfonylethyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The InChIKey is IXXIVBMKQDHWJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N8O2S/c1-20(18,19)6-4-11-7-13-8(16-10)15-9(14-7)17-5-2-3-12-17/h2-3,5H,4,6,10H2,1H3,(H2,11,13,14,15,16).
What are the key properties of 4-hydrazinyl-N-(2-methylsulfonylethyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
4-hydrazinyl-N-(2-methylsulfonylethyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine has a molecular weight of 298.33 g/mol, XLogP of -1.20, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydrazinyl-N-(2-methylsulfonylethyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80898787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).