3-methyl-5,6,7,8-tetrahydropyrazolo[5,1-b][1,3]oxazepine

C8H12N2O — CID 138580592

IUPAC3-methyl-5,6,7,8-tetrahydropyrazolo[5,1-b][1,3]oxazepine
SMILESCc1cnn2c1OCCCC2
InChIInChI=1S/C8H12N2O/c1-7-6-9-10-4-2-3-5-11-8(7)10/h6H,2-5H2,1H3
InChIKeyCDTTYHBOAUXRMC-UHFFFAOYSA-N
MW152.20 g/mol
LogP1.36
Rot. Bonds

About 3-methyl-5,6,7,8-tetrahydropyrazolo[5,1-b][1,3]oxazepine

3-methyl-5,6,7,8-tetrahydropyrazolo[5,1-b][1,3]oxazepine (PubChem CID 138580592) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 3-methyl-5,6,7,8-tetrahydropyrazolo[5,1-b][1,3]oxazepine.

Molecular Properties

Compound Name3-methyl-5,6,7,8-tetrahydropyrazolo[5,1-b][1,3]oxazepine
PubChem CID138580592
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name3-methyl-5,6,7,8-tetrahydropyrazolo[5,1-b][1,3]oxazepine
SMILESCc1cnn2c1OCCCC2
InChIInChI=1S/C8H12N2O/c1-7-6-9-10-4-2-3-5-11-8(7)10/h6H,2-5H2,1H3
InChIKeyCDTTYHBOAUXRMC-UHFFFAOYSA-N
XLogP1.36
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5,6,7,8-tetrahydropyrazolo[5,1-b][1,3]oxazepine?
The IUPAC name of 3-methyl-5,6,7,8-tetrahydropyrazolo[5,1-b][1,3]oxazepine (CID 138580592) is 3-methyl-5,6,7,8-tetrahydropyrazolo[5,1-b][1,3]oxazepine.
What is the SMILES notation for 3-methyl-5,6,7,8-tetrahydropyrazolo[5,1-b][1,3]oxazepine?
The canonical SMILES for 3-methyl-5,6,7,8-tetrahydropyrazolo[5,1-b][1,3]oxazepine is Cc1cnn2c1OCCCC2.
What is the InChIKey of 3-methyl-5,6,7,8-tetrahydropyrazolo[5,1-b][1,3]oxazepine?
The InChIKey is CDTTYHBOAUXRMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-7-6-9-10-4-2-3-5-11-8(7)10/h6H,2-5H2,1H3.
What are the key properties of 3-methyl-5,6,7,8-tetrahydropyrazolo[5,1-b][1,3]oxazepine?
3-methyl-5,6,7,8-tetrahydropyrazolo[5,1-b][1,3]oxazepine has a molecular weight of 152.20 g/mol, XLogP of 1.36, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5,6,7,8-tetrahydropyrazolo[5,1-b][1,3]oxazepine is sourced from PubChem (CID 138580592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).