3,6,6-trimethyl-2-propan-2-yl-4,7-dihydropyrazolo[5,1-c][1,4]oxazine

C12H20N2O — CID 146515996

IUPAC3,6,6-trimethyl-2-propan-2-yl-4,7-dihydropyrazolo[5,1-c][1,4]oxazine
SMILESCc1c(C(C)C)nn2c1COC(C)(C)C2
InChIInChI=1S/C12H20N2O/c1-8(2)11-9(3)10-6-15-12(4,5)7-14(10)13-11/h8H,6-7H2,1-5H3
InChIKeyVKZGJMSGKSIKDK-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.62
Rot. Bonds1

About 3,6,6-trimethyl-2-propan-2-yl-4,7-dihydropyrazolo[5,1-c][1,4]oxazine

3,6,6-trimethyl-2-propan-2-yl-4,7-dihydropyrazolo[5,1-c][1,4]oxazine (PubChem CID 146515996) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 3,6,6-trimethyl-2-propan-2-yl-4,7-dihydropyrazolo[5,1-c][1,4]oxazine.

Molecular Properties

Compound Name3,6,6-trimethyl-2-propan-2-yl-4,7-dihydropyrazolo[5,1-c][1,4]oxazine
PubChem CID146515996
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name3,6,6-trimethyl-2-propan-2-yl-4,7-dihydropyrazolo[5,1-c][1,4]oxazine
SMILESCc1c(C(C)C)nn2c1COC(C)(C)C2
InChIInChI=1S/C12H20N2O/c1-8(2)11-9(3)10-6-15-12(4,5)7-14(10)13-11/h8H,6-7H2,1-5H3
InChIKeyVKZGJMSGKSIKDK-UHFFFAOYSA-N
XLogP2.62
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,6,6-trimethyl-2-propan-2-yl-4,7-dihydropyrazolo[5,1-c][1,4]oxazine?
The IUPAC name of 3,6,6-trimethyl-2-propan-2-yl-4,7-dihydropyrazolo[5,1-c][1,4]oxazine (CID 146515996) is 3,6,6-trimethyl-2-propan-2-yl-4,7-dihydropyrazolo[5,1-c][1,4]oxazine.
What is the SMILES notation for 3,6,6-trimethyl-2-propan-2-yl-4,7-dihydropyrazolo[5,1-c][1,4]oxazine?
The canonical SMILES for 3,6,6-trimethyl-2-propan-2-yl-4,7-dihydropyrazolo[5,1-c][1,4]oxazine is Cc1c(C(C)C)nn2c1COC(C)(C)C2.
What is the InChIKey of 3,6,6-trimethyl-2-propan-2-yl-4,7-dihydropyrazolo[5,1-c][1,4]oxazine?
The InChIKey is VKZGJMSGKSIKDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-8(2)11-9(3)10-6-15-12(4,5)7-14(10)13-11/h8H,6-7H2,1-5H3.
What are the key properties of 3,6,6-trimethyl-2-propan-2-yl-4,7-dihydropyrazolo[5,1-c][1,4]oxazine?
3,6,6-trimethyl-2-propan-2-yl-4,7-dihydropyrazolo[5,1-c][1,4]oxazine has a molecular weight of 208.30 g/mol, XLogP of 2.62, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6,6-trimethyl-2-propan-2-yl-4,7-dihydropyrazolo[5,1-c][1,4]oxazine is sourced from PubChem (CID 146515996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).