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

C10H16N8O2S — CID 80910646

IUPAC4-hydrazinyl-N-(1-methylsulfonylpropan-2-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
SMILESCC(CS(C)(=O)=O)Nc1nc(NN)nc(-n2cccn2)n1
InChIInChI=1S/C10H16N8O2S/c1-7(6-21(2,19)20)13-8-14-9(17-11)16-10(15-8)18-5-3-4-12-18/h3-5,7H,6,11H2,1-2H3,(H2,13,14,15,16,17)
InChIKeyVPJDVYGOIJIMSA-UHFFFAOYSA-N
MW312.36 g/mol
LogP-0.81
Rot. Bonds6

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

4-hydrazinyl-N-(1-methylsulfonylpropan-2-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine (PubChem CID 80910646) has the molecular formula C10H16N8O2S and a molecular weight of 312.36 g/mol. Its IUPAC name is 4-hydrazinyl-N-(1-methylsulfonylpropan-2-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-hydrazinyl-N-(1-methylsulfonylpropan-2-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
PubChem CID80910646
Molecular FormulaC10H16N8O2S
Molecular Weight312.36 g/mol
Exact Mass312.11
IUPAC Name4-hydrazinyl-N-(1-methylsulfonylpropan-2-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
SMILESCC(CS(C)(=O)=O)Nc1nc(NN)nc(-n2cccn2)n1
InChIInChI=1S/C10H16N8O2S/c1-7(6-21(2,19)20)13-8-14-9(17-11)16-10(15-8)18-5-3-4-12-18/h3-5,7H,6,11H2,1-2H3,(H2,13,14,15,16,17)
InChIKeyVPJDVYGOIJIMSA-UHFFFAOYSA-N
XLogP-0.81
TPSA140.71 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.36
LogP ≤ 5-0.81
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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Related Compounds

4-hydrazinyl-N-(2-methylsulfonylethyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80898787
N-ethyl-2-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]propanamide
CID 80901085
2-[(4-amino-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]propan-1-ol
CID 80778918
N-(1-methylsulfonylpropan-2-yl)-4-pyrazol-1-ylaniline
CID 64629725
2-[[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]propan-1-ol
CID 80779408
4-hydrazinyl-N-(2-propan-2-yloxyethyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 113451062
2-N-(1-methoxypropan-2-yl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80784918
N-(1-methylsulfonylpropan-2-yl)-2-pyrazol-1-ylpyridin-3-amine
CID 64629336
2-N-[1-(dimethylamino)propan-2-yl]-4-N-methyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 82949897
(4-butan-2-ylsulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)hydrazine
CID 80925052
2-ethyl-2-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]butan-1-ol
CID 80902539
4-hydrazinyl-6-pyrazol-1-yl-N-(2,2,3,3-tetrafluoropropyl)-1,3,5-triazin-2-amine
CID 106294468

Frequently Asked Questions

What is the IUPAC name of 4-hydrazinyl-N-(1-methylsulfonylpropan-2-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-hydrazinyl-N-(1-methylsulfonylpropan-2-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine (CID 80910646) is 4-hydrazinyl-N-(1-methylsulfonylpropan-2-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-hydrazinyl-N-(1-methylsulfonylpropan-2-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-hydrazinyl-N-(1-methylsulfonylpropan-2-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine is CC(CS(C)(=O)=O)Nc1nc(NN)nc(-n2cccn2)n1.
What is the InChIKey of 4-hydrazinyl-N-(1-methylsulfonylpropan-2-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The InChIKey is VPJDVYGOIJIMSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N8O2S/c1-7(6-21(2,19)20)13-8-14-9(17-11)16-10(15-8)18-5-3-4-12-18/h3-5,7H,6,11H2,1-2H3,(H2,13,14,15,16,17).
What are the key properties of 4-hydrazinyl-N-(1-methylsulfonylpropan-2-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
4-hydrazinyl-N-(1-methylsulfonylpropan-2-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine has a molecular weight of 312.36 g/mol, XLogP of -0.81, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydrazinyl-N-(1-methylsulfonylpropan-2-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80910646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).