4-hydrazinyl-1,7-dihydropyrazolo[5,4-d]pyrimidine-6-thione

C5H6N6S — CID 135436411

IUPAC4-hydrazinyl-1,7-dihydropyrazolo[5,4-d]pyrimidine-6-thione
SMILESNNc1nc(=S)[nH]c2[nH]ncc12
InChIInChI=1S/C5H6N6S/c6-10-3-2-1-7-11-4(2)9-5(12)8-3/h1H,6H2,(H3,7,8,9,10,11,12)
InChIKeyDSMNEIWIHTTXIO-UHFFFAOYSA-N
MW182.21 g/mol
LogP0.30
Rot. Bonds1

About 4-hydrazinyl-1,7-dihydropyrazolo[5,4-d]pyrimidine-6-thione

4-hydrazinyl-1,7-dihydropyrazolo[5,4-d]pyrimidine-6-thione (PubChem CID 135436411) has the molecular formula C5H6N6S and a molecular weight of 182.21 g/mol. Its IUPAC name is 4-hydrazinyl-1,7-dihydropyrazolo[5,4-d]pyrimidine-6-thione.

Molecular Properties

Compound Name4-hydrazinyl-1,7-dihydropyrazolo[5,4-d]pyrimidine-6-thione
PubChem CID135436411
Molecular FormulaC5H6N6S
Molecular Weight182.21 g/mol
Exact Mass182.04
IUPAC Name4-hydrazinyl-1,7-dihydropyrazolo[5,4-d]pyrimidine-6-thione
SMILESNNc1nc(=S)[nH]c2[nH]ncc12
InChIInChI=1S/C5H6N6S/c6-10-3-2-1-7-11-4(2)9-5(12)8-3/h1H,6H2,(H3,7,8,9,10,11,12)
InChIKeyDSMNEIWIHTTXIO-UHFFFAOYSA-N
XLogP0.30
TPSA95.41 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.21
LogP ≤ 50.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-hydrazinyl-1,7-dihydropyrazolo[5,4-d]pyrimidine-6-thione?
The IUPAC name of 4-hydrazinyl-1,7-dihydropyrazolo[5,4-d]pyrimidine-6-thione (CID 135436411) is 4-hydrazinyl-1,7-dihydropyrazolo[5,4-d]pyrimidine-6-thione.
What is the SMILES notation for 4-hydrazinyl-1,7-dihydropyrazolo[5,4-d]pyrimidine-6-thione?
The canonical SMILES for 4-hydrazinyl-1,7-dihydropyrazolo[5,4-d]pyrimidine-6-thione is NNc1nc(=S)[nH]c2[nH]ncc12.
What is the InChIKey of 4-hydrazinyl-1,7-dihydropyrazolo[5,4-d]pyrimidine-6-thione?
The InChIKey is DSMNEIWIHTTXIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N6S/c6-10-3-2-1-7-11-4(2)9-5(12)8-3/h1H,6H2,(H3,7,8,9,10,11,12).
What are the key properties of 4-hydrazinyl-1,7-dihydropyrazolo[5,4-d]pyrimidine-6-thione?
4-hydrazinyl-1,7-dihydropyrazolo[5,4-d]pyrimidine-6-thione has a molecular weight of 182.21 g/mol, XLogP of 0.30, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydrazinyl-1,7-dihydropyrazolo[5,4-d]pyrimidine-6-thione is sourced from PubChem (CID 135436411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).