(3-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)methanol

C8H12N2O2 — CID 102533863

IUPAC(3-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)methanol
SMILESCc1c(CO)nn2c1OCCC2
InChIInChI=1S/C8H12N2O2/c1-6-7(5-11)9-10-3-2-4-12-8(6)10/h11H,2-5H2,1H3
InChIKeyBRXBOKMRCNFPAX-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.47
Rot. Bonds1

About (3-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)methanol

(3-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)methanol (PubChem CID 102533863) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is (3-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)methanol.

Molecular Properties

Compound Name(3-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)methanol
PubChem CID102533863
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name(3-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)methanol
SMILESCc1c(CO)nn2c1OCCC2
InChIInChI=1S/C8H12N2O2/c1-6-7(5-11)9-10-3-2-4-12-8(6)10/h11H,2-5H2,1H3
InChIKeyBRXBOKMRCNFPAX-UHFFFAOYSA-N
XLogP0.47
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)methanol?
The IUPAC name of (3-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)methanol (CID 102533863) is (3-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)methanol.
What is the SMILES notation for (3-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)methanol?
The canonical SMILES for (3-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)methanol is Cc1c(CO)nn2c1OCCC2.
What is the InChIKey of (3-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)methanol?
The InChIKey is BRXBOKMRCNFPAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-6-7(5-11)9-10-3-2-4-12-8(6)10/h11H,2-5H2,1H3.
What are the key properties of (3-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)methanol?
(3-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)methanol has a molecular weight of 168.20 g/mol, XLogP of 0.47, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)methanol is sourced from PubChem (CID 102533863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).