2-methyl-6,10b-dihydro-1H-pyrazolo[1,5-c]quinazoline-5-thione

C11H11N3S — CID 88566800

IUPAC2-methyl-6,10b-dihydro-1H-pyrazolo[1,5-c]quinazoline-5-thione
SMILESCC1=NN2C(=S)Nc3ccccc3C2C1
InChIInChI=1S/C11H11N3S/c1-7-6-10-8-4-2-3-5-9(8)12-11(15)14(10)13-7/h2-5,10H,6H2,1H3,(H,12,15)
InChIKeyRTPXWZYNILPWFH-UHFFFAOYSA-N
MW217.30 g/mol
LogP2.52
Rot. Bonds

About 2-methyl-6,10b-dihydro-1H-pyrazolo[1,5-c]quinazoline-5-thione

2-methyl-6,10b-dihydro-1H-pyrazolo[1,5-c]quinazoline-5-thione (PubChem CID 88566800) has the molecular formula C11H11N3S and a molecular weight of 217.30 g/mol. Its IUPAC name is 2-methyl-6,10b-dihydro-1H-pyrazolo[1,5-c]quinazoline-5-thione.

Molecular Properties

Compound Name2-methyl-6,10b-dihydro-1H-pyrazolo[1,5-c]quinazoline-5-thione
PubChem CID88566800
Molecular FormulaC11H11N3S
Molecular Weight217.30 g/mol
Exact Mass217.07
IUPAC Name2-methyl-6,10b-dihydro-1H-pyrazolo[1,5-c]quinazoline-5-thione
SMILESCC1=NN2C(=S)Nc3ccccc3C2C1
InChIInChI=1S/C11H11N3S/c1-7-6-10-8-4-2-3-5-9(8)12-11(15)14(10)13-7/h2-5,10H,6H2,1H3,(H,12,15)
InChIKeyRTPXWZYNILPWFH-UHFFFAOYSA-N
XLogP2.52
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.30
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-6,10b-dihydro-1H-pyrazolo[1,5-c]quinazoline-5-thione?
The IUPAC name of 2-methyl-6,10b-dihydro-1H-pyrazolo[1,5-c]quinazoline-5-thione (CID 88566800) is 2-methyl-6,10b-dihydro-1H-pyrazolo[1,5-c]quinazoline-5-thione.
What is the SMILES notation for 2-methyl-6,10b-dihydro-1H-pyrazolo[1,5-c]quinazoline-5-thione?
The canonical SMILES for 2-methyl-6,10b-dihydro-1H-pyrazolo[1,5-c]quinazoline-5-thione is CC1=NN2C(=S)Nc3ccccc3C2C1.
What is the InChIKey of 2-methyl-6,10b-dihydro-1H-pyrazolo[1,5-c]quinazoline-5-thione?
The InChIKey is RTPXWZYNILPWFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3S/c1-7-6-10-8-4-2-3-5-9(8)12-11(15)14(10)13-7/h2-5,10H,6H2,1H3,(H,12,15).
What are the key properties of 2-methyl-6,10b-dihydro-1H-pyrazolo[1,5-c]quinazoline-5-thione?
2-methyl-6,10b-dihydro-1H-pyrazolo[1,5-c]quinazoline-5-thione has a molecular weight of 217.30 g/mol, XLogP of 2.52, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6,10b-dihydro-1H-pyrazolo[1,5-c]quinazoline-5-thione is sourced from PubChem (CID 88566800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).