2-methyl-9-(trifluoromethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline

C12H12F3N3 — CID 754722

IUPAC2-methyl-9-(trifluoromethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline
SMILESCc1cc2nc3c(c(C(F)(F)F)n2n1)CCCC3
InChIInChI=1S/C12H12F3N3/c1-7-6-10-16-9-5-3-2-4-8(9)11(12(13,14)15)18(10)17-7/h6H,2-5H2,1H3
InChIKeyKVIBKWFEGFHKPH-UHFFFAOYSA-N
MW255.24 g/mol
LogP2.94
Rot. Bonds

About 2-methyl-9-(trifluoromethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline

2-methyl-9-(trifluoromethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline (PubChem CID 754722) has the molecular formula C12H12F3N3 and a molecular weight of 255.24 g/mol. Its IUPAC name is 2-methyl-9-(trifluoromethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline.

Molecular Properties

Compound Name2-methyl-9-(trifluoromethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline
PubChem CID754722
Molecular FormulaC12H12F3N3
Molecular Weight255.24 g/mol
Exact Mass255.10
IUPAC Name2-methyl-9-(trifluoromethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline
SMILESCc1cc2nc3c(c(C(F)(F)F)n2n1)CCCC3
InChIInChI=1S/C12H12F3N3/c1-7-6-10-16-9-5-3-2-4-8(9)11(12(13,14)15)18(10)17-7/h6H,2-5H2,1H3
InChIKeyKVIBKWFEGFHKPH-UHFFFAOYSA-N
XLogP2.94
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-9-(trifluoromethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline?
The IUPAC name of 2-methyl-9-(trifluoromethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline (CID 754722) is 2-methyl-9-(trifluoromethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline.
What is the SMILES notation for 2-methyl-9-(trifluoromethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline?
The canonical SMILES for 2-methyl-9-(trifluoromethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline is Cc1cc2nc3c(c(C(F)(F)F)n2n1)CCCC3.
What is the InChIKey of 2-methyl-9-(trifluoromethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline?
The InChIKey is KVIBKWFEGFHKPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3/c1-7-6-10-16-9-5-3-2-4-8(9)11(12(13,14)15)18(10)17-7/h6H,2-5H2,1H3.
What are the key properties of 2-methyl-9-(trifluoromethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline?
2-methyl-9-(trifluoromethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline has a molecular weight of 255.24 g/mol, XLogP of 2.94, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-9-(trifluoromethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline is sourced from PubChem (CID 754722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).