1-(4-methylphenyl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine

C16H13N3O — CID 24847212

IUPAC1-(4-methylphenyl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine
SMILESCc1ccc(-c2nnc3n2-c2ccccc2OC3)cc1
InChIInChI=1S/C16H13N3O/c1-11-6-8-12(9-7-11)16-18-17-15-10-20-14-5-3-2-4-13(14)19(15)16/h2-9H,10H2,1H3
InChIKeyWAMJHSBZDYXZQN-UHFFFAOYSA-N
MW263.30 g/mol
LogP3.14
Rot. Bonds1

About 1-(4-methylphenyl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine

1-(4-methylphenyl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine (PubChem CID 24847212) has the molecular formula C16H13N3O and a molecular weight of 263.30 g/mol. Its IUPAC name is 1-(4-methylphenyl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine.

Molecular Properties

Compound Name1-(4-methylphenyl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine
PubChem CID24847212
Molecular FormulaC16H13N3O
Molecular Weight263.30 g/mol
Exact Mass263.11
IUPAC Name1-(4-methylphenyl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine
SMILESCc1ccc(-c2nnc3n2-c2ccccc2OC3)cc1
InChIInChI=1S/C16H13N3O/c1-11-6-8-12(9-7-11)16-18-17-15-10-20-14-5-3-2-4-13(14)19(15)16/h2-9H,10H2,1H3
InChIKeyWAMJHSBZDYXZQN-UHFFFAOYSA-N
XLogP3.14
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 798454
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CID 10142915
CID 10142915
CID 10164478
CID 10164478
CID 10165683
CID 10165683
CID 10206901
CID 10206901
CID 10208389
CID 10208389
CID 10278394
CID 10278394
CID 10303620
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CID 10873853
CID 10873853

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine?
The IUPAC name of 1-(4-methylphenyl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine (CID 24847212) is 1-(4-methylphenyl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine.
What is the SMILES notation for 1-(4-methylphenyl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine?
The canonical SMILES for 1-(4-methylphenyl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine is Cc1ccc(-c2nnc3n2-c2ccccc2OC3)cc1.
What is the InChIKey of 1-(4-methylphenyl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine?
The InChIKey is WAMJHSBZDYXZQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O/c1-11-6-8-12(9-7-11)16-18-17-15-10-20-14-5-3-2-4-13(14)19(15)16/h2-9H,10H2,1H3.
What are the key properties of 1-(4-methylphenyl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine?
1-(4-methylphenyl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine has a molecular weight of 263.30 g/mol, XLogP of 3.14, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine is sourced from PubChem (CID 24847212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).