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

C12H15N3S — CID 82270237

IUPAC2-ethyl-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazoline-9-thione
SMILESCCc1cc2nc3c(c(=S)n2[nH]1)CCCC3
InChIInChI=1S/C12H15N3S/c1-2-8-7-11-13-10-6-4-3-5-9(10)12(16)15(11)14-8/h7,14H,2-6H2,1H3
InChIKeyJWURUKRGQARTJH-UHFFFAOYSA-N
MW233.34 g/mol
LogP2.83
Rot. Bonds1

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

2-ethyl-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazoline-9-thione (PubChem CID 82270237) has the molecular formula C12H15N3S and a molecular weight of 233.34 g/mol. Its IUPAC name is 2-ethyl-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazoline-9-thione.

Molecular Properties

Compound Name2-ethyl-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazoline-9-thione
PubChem CID82270237
Molecular FormulaC12H15N3S
Molecular Weight233.34 g/mol
Exact Mass233.10
IUPAC Name2-ethyl-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazoline-9-thione
SMILESCCc1cc2nc3c(c(=S)n2[nH]1)CCCC3
InChIInChI=1S/C12H15N3S/c1-2-8-7-11-13-10-6-4-3-5-9(10)12(16)15(11)14-8/h7,14H,2-6H2,1H3
InChIKeyJWURUKRGQARTJH-UHFFFAOYSA-N
XLogP2.83
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

11-ethyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-trien-2-one
CID 104621255
5-ethyl-2,6,7-triazatricyclo[7.5.0.03,7]tetradeca-1(9),2,4-trien-8-one
CID 104621296
1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-triene-2-thione
CID 2814597
11-methyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-trien-2-one
CID 3613608
2-ethyl-6,7,8,9-tetrahydro-[1,3,4]thiadiazolo[2,3-b]quinazoline-5-thione
CID 3074721
5-amino-2-ethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 66896039
2-propan-2-yl-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one
CID 113433916
5-propyl-11-oxa-2,6,7-triazatricyclo[7.4.0.03,7]trideca-1(9),2,4-trien-8-one
CID 106471783
2-chloro-11-pentan-3-yl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene
CID 82269894
11-(4-fluorophenyl)-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-trien-2-one
CID 804448
11-methyl-2-piperazin-1-yl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene
CID 82270592
2-(4-ethylphenyl)-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 63486449

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazoline-9-thione?
The IUPAC name of 2-ethyl-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazoline-9-thione (CID 82270237) is 2-ethyl-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazoline-9-thione.
What is the SMILES notation for 2-ethyl-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazoline-9-thione?
The canonical SMILES for 2-ethyl-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazoline-9-thione is CCc1cc2nc3c(c(=S)n2[nH]1)CCCC3.
What is the InChIKey of 2-ethyl-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazoline-9-thione?
The InChIKey is JWURUKRGQARTJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3S/c1-2-8-7-11-13-10-6-4-3-5-9(10)12(16)15(11)14-8/h7,14H,2-6H2,1H3.
What are the key properties of 2-ethyl-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazoline-9-thione?
2-ethyl-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazoline-9-thione has a molecular weight of 233.34 g/mol, XLogP of 2.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazoline-9-thione is sourced from PubChem (CID 82270237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).