1-[(6-hydrazinyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol

C10H17N7OS — CID 114163918

IUPAC1-[(6-hydrazinyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol
SMILESCSCC(C)(O)CNc1nc(NN)nc2[nH]ncc12
InChIInChI=1S/C10H17N7OS/c1-10(18,5-19-2)4-12-7-6-3-13-17-8(6)15-9(14-7)16-11/h3,18H,4-5,11H2,1-2H3,(H3,12,13,14,15,16,17)
InChIKeyWERSEDRDLAZWBL-UHFFFAOYSA-N
MW283.36 g/mol
LogP0.16
Rot. Bonds6

About 1-[(6-hydrazinyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol

1-[(6-hydrazinyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol (PubChem CID 114163918) has the molecular formula C10H17N7OS and a molecular weight of 283.36 g/mol. Its IUPAC name is 1-[(6-hydrazinyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol.

Molecular Properties

Compound Name1-[(6-hydrazinyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol
PubChem CID114163918
Molecular FormulaC10H17N7OS
Molecular Weight283.36 g/mol
Exact Mass283.12
IUPAC Name1-[(6-hydrazinyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol
SMILESCSCC(C)(O)CNc1nc(NN)nc2[nH]ncc12
InChIInChI=1S/C10H17N7OS/c1-10(18,5-19-2)4-12-7-6-3-13-17-8(6)15-9(14-7)16-11/h3,18H,4-5,11H2,1-2H3,(H3,12,13,14,15,16,17)
InChIKeyWERSEDRDLAZWBL-UHFFFAOYSA-N
XLogP0.16
TPSA124.77 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 50.16
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 1-[(6-hydrazinyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(6-hydrazinyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol?
The IUPAC name of 1-[(6-hydrazinyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol (CID 114163918) is 1-[(6-hydrazinyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol.
What is the SMILES notation for 1-[(6-hydrazinyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol?
The canonical SMILES for 1-[(6-hydrazinyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol is CSCC(C)(O)CNc1nc(NN)nc2[nH]ncc12.
What is the InChIKey of 1-[(6-hydrazinyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol?
The InChIKey is WERSEDRDLAZWBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N7OS/c1-10(18,5-19-2)4-12-7-6-3-13-17-8(6)15-9(14-7)16-11/h3,18H,4-5,11H2,1-2H3,(H3,12,13,14,15,16,17).
What are the key properties of 1-[(6-hydrazinyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol?
1-[(6-hydrazinyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol has a molecular weight of 283.36 g/mol, XLogP of 0.16, 6 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-hydrazinyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol is sourced from PubChem (CID 114163918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).