1-(2-fluoroethyl)-8-methylsulfanyl-4,5-dihydropyrazolo[4,5-h]quinazoline

C12H13FN4S — CID 141335509

IUPAC1-(2-fluoroethyl)-8-methylsulfanyl-4,5-dihydropyrazolo[4,5-h]quinazoline
SMILESCSc1ncc2c(n1)-c1c(cnn1CCF)CC2
InChIInChI=1S/C12H13FN4S/c1-18-12-14-6-8-2-3-9-7-15-17(5-4-13)11(9)10(8)16-12/h6-7H,2-5H2,1H3
InChIKeyHEFUUVBGBNZUDD-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.13
Rot. Bonds3

About 1-(2-fluoroethyl)-8-methylsulfanyl-4,5-dihydropyrazolo[4,5-h]quinazoline

1-(2-fluoroethyl)-8-methylsulfanyl-4,5-dihydropyrazolo[4,5-h]quinazoline (PubChem CID 141335509) has the molecular formula C12H13FN4S and a molecular weight of 264.33 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-8-methylsulfanyl-4,5-dihydropyrazolo[4,5-h]quinazoline.

Molecular Properties

Compound Name1-(2-fluoroethyl)-8-methylsulfanyl-4,5-dihydropyrazolo[4,5-h]quinazoline
PubChem CID141335509
Molecular FormulaC12H13FN4S
Molecular Weight264.33 g/mol
Exact Mass264.08
IUPAC Name1-(2-fluoroethyl)-8-methylsulfanyl-4,5-dihydropyrazolo[4,5-h]quinazoline
SMILESCSc1ncc2c(n1)-c1c(cnn1CCF)CC2
InChIInChI=1S/C12H13FN4S/c1-18-12-14-6-8-2-3-9-7-15-17(5-4-13)11(9)10(8)16-12/h6-7H,2-5H2,1H3
InChIKeyHEFUUVBGBNZUDD-UHFFFAOYSA-N
XLogP2.13
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-8-methylsulfanyl-4,5-dihydropyrazolo[4,5-h]quinazoline?
The IUPAC name of 1-(2-fluoroethyl)-8-methylsulfanyl-4,5-dihydropyrazolo[4,5-h]quinazoline (CID 141335509) is 1-(2-fluoroethyl)-8-methylsulfanyl-4,5-dihydropyrazolo[4,5-h]quinazoline.
What is the SMILES notation for 1-(2-fluoroethyl)-8-methylsulfanyl-4,5-dihydropyrazolo[4,5-h]quinazoline?
The canonical SMILES for 1-(2-fluoroethyl)-8-methylsulfanyl-4,5-dihydropyrazolo[4,5-h]quinazoline is CSc1ncc2c(n1)-c1c(cnn1CCF)CC2.
What is the InChIKey of 1-(2-fluoroethyl)-8-methylsulfanyl-4,5-dihydropyrazolo[4,5-h]quinazoline?
The InChIKey is HEFUUVBGBNZUDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4S/c1-18-12-14-6-8-2-3-9-7-15-17(5-4-13)11(9)10(8)16-12/h6-7H,2-5H2,1H3.
What are the key properties of 1-(2-fluoroethyl)-8-methylsulfanyl-4,5-dihydropyrazolo[4,5-h]quinazoline?
1-(2-fluoroethyl)-8-methylsulfanyl-4,5-dihydropyrazolo[4,5-h]quinazoline has a molecular weight of 264.33 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-8-methylsulfanyl-4,5-dihydropyrazolo[4,5-h]quinazoline is sourced from PubChem (CID 141335509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).