2-methyl-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazoline-9-thione

C11H13N3S — CID 82270226

IUPAC2-methyl-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazoline-9-thione
SMILESCc1cc2nc3c(c(=S)n2[nH]1)CCCC3
InChIInChI=1S/C11H13N3S/c1-7-6-10-12-9-5-3-2-4-8(9)11(15)14(10)13-7/h6,13H,2-5H2,1H3
InChIKeyYVQHGHJHDSPVSW-UHFFFAOYSA-N
MW219.31 g/mol
LogP2.58
Rot. Bonds

About 2-methyl-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazoline-9-thione

2-methyl-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazoline-9-thione (PubChem CID 82270226) has the molecular formula C11H13N3S and a molecular weight of 219.31 g/mol. Its IUPAC name is 2-methyl-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazoline-9-thione.

Molecular Properties

Compound Name2-methyl-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazoline-9-thione
PubChem CID82270226
Molecular FormulaC11H13N3S
Molecular Weight219.31 g/mol
Exact Mass219.08
IUPAC Name2-methyl-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazoline-9-thione
SMILESCc1cc2nc3c(c(=S)n2[nH]1)CCCC3
InChIInChI=1S/C11H13N3S/c1-7-6-10-12-9-5-3-2-4-8(9)11(15)14(10)13-7/h6,13H,2-5H2,1H3
InChIKeyYVQHGHJHDSPVSW-UHFFFAOYSA-N
XLogP2.58
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazoline-9-thione?
The IUPAC name of 2-methyl-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazoline-9-thione (CID 82270226) is 2-methyl-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazoline-9-thione.
What is the SMILES notation for 2-methyl-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazoline-9-thione?
The canonical SMILES for 2-methyl-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazoline-9-thione is Cc1cc2nc3c(c(=S)n2[nH]1)CCCC3.
What is the InChIKey of 2-methyl-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazoline-9-thione?
The InChIKey is YVQHGHJHDSPVSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3S/c1-7-6-10-12-9-5-3-2-4-8(9)11(15)14(10)13-7/h6,13H,2-5H2,1H3.
What are the key properties of 2-methyl-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazoline-9-thione?
2-methyl-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazoline-9-thione has a molecular weight of 219.31 g/mol, XLogP of 2.58, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazoline-9-thione is sourced from PubChem (CID 82270226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).