9H-pyrazolo[5,1-b][1,3]benzoxazine

C10H8N2O — CID 134851058

IUPAC9H-pyrazolo[5,1-b][1,3]benzoxazine
SMILESc1ccc2c(c1)Cn1nccc1O2
InChIInChI=1S/C10H8N2O/c1-2-4-9-8(3-1)7-12-10(13-9)5-6-11-12/h1-6H,7H2
InChIKeyNEPYARKHCRSFPW-UHFFFAOYSA-N
MW172.19 g/mol
LogP2.04
Rot. Bonds

About 9H-pyrazolo[5,1-b][1,3]benzoxazine

9H-pyrazolo[5,1-b][1,3]benzoxazine (PubChem CID 134851058) has the molecular formula C10H8N2O and a molecular weight of 172.19 g/mol. Its IUPAC name is 9H-pyrazolo[5,1-b][1,3]benzoxazine.

Molecular Properties

Compound Name9H-pyrazolo[5,1-b][1,3]benzoxazine
PubChem CID134851058
Molecular FormulaC10H8N2O
Molecular Weight172.19 g/mol
Exact Mass172.06
IUPAC Name9H-pyrazolo[5,1-b][1,3]benzoxazine
SMILESc1ccc2c(c1)Cn1nccc1O2
InChIInChI=1S/C10H8N2O/c1-2-4-9-8(3-1)7-12-10(13-9)5-6-11-12/h1-6H,7H2
InChIKeyNEPYARKHCRSFPW-UHFFFAOYSA-N
XLogP2.04
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.19
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

11-methyl-10,12-dihydrobenzo[b][1,5]benzoxazocine
CID 102106575
5-iodo-6H-benzo[b][1,4]benzoxazepine
CID 142383988
9H-xanthene
CID 7107
2-sulfanyl-3H-1,2-benzoxazole
CID 19388214
2-hydroxy-3H-1,2-benzoxazole
CID 91041967
3-(2,4-dihydro-1,3-benzoxazin-3-ylmethyl)-2,4-dihydro-1,3-benzoxazine;ethane
CID 162155104
5,6-dihydro-[1]benzoxepino[2,3-b]pyridine
CID 145135614
biphenylene;9H-xanthene
CID 69049558
10H-chromeno[2,3-b]pyrazine
CID 140937622
2-tert-butyl-3H-1,2-benzoxazole
CID 86109552
3-(1-methylpiperidin-4-yl)-4H-1,3-benzoxazin-2-one
CID 142020638
anthracene;9H-xanthene
CID 141402821

Frequently Asked Questions

What is the IUPAC name of 9H-pyrazolo[5,1-b][1,3]benzoxazine?
The IUPAC name of 9H-pyrazolo[5,1-b][1,3]benzoxazine (CID 134851058) is 9H-pyrazolo[5,1-b][1,3]benzoxazine.
What is the SMILES notation for 9H-pyrazolo[5,1-b][1,3]benzoxazine?
The canonical SMILES for 9H-pyrazolo[5,1-b][1,3]benzoxazine is c1ccc2c(c1)Cn1nccc1O2.
What is the InChIKey of 9H-pyrazolo[5,1-b][1,3]benzoxazine?
The InChIKey is NEPYARKHCRSFPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O/c1-2-4-9-8(3-1)7-12-10(13-9)5-6-11-12/h1-6H,7H2.
What are the key properties of 9H-pyrazolo[5,1-b][1,3]benzoxazine?
9H-pyrazolo[5,1-b][1,3]benzoxazine has a molecular weight of 172.19 g/mol, XLogP of 2.04, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-pyrazolo[5,1-b][1,3]benzoxazine is sourced from PubChem (CID 134851058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).