4-(1,2,4-benzotriazin-3-yloxy)-2-methylaniline

C14H12N4O — CID 103204561

IUPAC4-(1,2,4-benzotriazin-3-yloxy)-2-methylaniline
SMILESCc1cc(Oc2nnc3ccccc3n2)ccc1N
InChIInChI=1S/C14H12N4O/c1-9-8-10(6-7-11(9)15)19-14-16-12-4-2-3-5-13(12)17-18-14/h2-8H,15H2,1H3
InChIKeyIMOZXCUGASRVAC-UHFFFAOYSA-N
MW252.28 g/mol
LogP2.71
Rot. Bonds2

About 4-(1,2,4-benzotriazin-3-yloxy)-2-methylaniline

4-(1,2,4-benzotriazin-3-yloxy)-2-methylaniline (PubChem CID 103204561) has the molecular formula C14H12N4O and a molecular weight of 252.28 g/mol. Its IUPAC name is 4-(1,2,4-benzotriazin-3-yloxy)-2-methylaniline.

Molecular Properties

Compound Name4-(1,2,4-benzotriazin-3-yloxy)-2-methylaniline
PubChem CID103204561
Molecular FormulaC14H12N4O
Molecular Weight252.28 g/mol
Exact Mass252.10
IUPAC Name4-(1,2,4-benzotriazin-3-yloxy)-2-methylaniline
SMILESCc1cc(Oc2nnc3ccccc3n2)ccc1N
InChIInChI=1S/C14H12N4O/c1-9-8-10(6-7-11(9)15)19-14-16-12-4-2-3-5-13(12)17-18-14/h2-8H,15H2,1H3
InChIKeyIMOZXCUGASRVAC-UHFFFAOYSA-N
XLogP2.71
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-methyl-4-(3-methylquinoxalin-2-yl)oxyaniline
CID 62375215
2-methyl-4-quinazolin-4-yloxyaniline
CID 60895454
3-(1,2,4-benzotriazin-3-yloxy)-5-methylphenol
CID 107680810
3-(1,2,4-benzotriazin-3-yloxy)-2-bromoaniline
CID 103204593
4-[7-(4-amino-3-methylphenoxy)naphthalen-2-yl]oxy-2-methylaniline
CID 139654231
4-(4-amino-3-methylphenoxy)phenol
CID 150102226
2-methyl-4-(6-methylpyridazin-3-yl)oxyaniline
CID 61311194
4-(2-fluorophenoxy)-2-methylaniline
CID 26190288
2-methyl-4-(quinolin-4-ylmethoxy)aniline
CID 79234978
4-(6-bromonaphthalen-2-yl)oxy-2-methylaniline
CID 43436384
2-methyl-4-pyridin-3-yloxyaniline;hydrochloride
CID 156593409
4-(4-bromo-3-methylphenoxy)quinolin-3-amine
CID 103963762

Frequently Asked Questions

What is the IUPAC name of 4-(1,2,4-benzotriazin-3-yloxy)-2-methylaniline?
The IUPAC name of 4-(1,2,4-benzotriazin-3-yloxy)-2-methylaniline (CID 103204561) is 4-(1,2,4-benzotriazin-3-yloxy)-2-methylaniline.
What is the SMILES notation for 4-(1,2,4-benzotriazin-3-yloxy)-2-methylaniline?
The canonical SMILES for 4-(1,2,4-benzotriazin-3-yloxy)-2-methylaniline is Cc1cc(Oc2nnc3ccccc3n2)ccc1N.
What is the InChIKey of 4-(1,2,4-benzotriazin-3-yloxy)-2-methylaniline?
The InChIKey is IMOZXCUGASRVAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O/c1-9-8-10(6-7-11(9)15)19-14-16-12-4-2-3-5-13(12)17-18-14/h2-8H,15H2,1H3.
What are the key properties of 4-(1,2,4-benzotriazin-3-yloxy)-2-methylaniline?
4-(1,2,4-benzotriazin-3-yloxy)-2-methylaniline has a molecular weight of 252.28 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2,4-benzotriazin-3-yloxy)-2-methylaniline is sourced from PubChem (CID 103204561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).