N-(4-methoxyphenyl)-N-methyl-1,2,3-benzotriazin-4-amine

C15H14N4O — CID 11594165

IUPACN-(4-methoxyphenyl)-N-methyl-1,2,3-benzotriazin-4-amine
SMILESCOc1ccc(N(C)c2nnnc3ccccc23)cc1
InChIInChI=1S/C15H14N4O/c1-19(11-7-9-12(20-2)10-8-11)15-13-5-3-4-6-14(13)16-18-17-15/h3-10H,1-2H3
InChIKeyUWWKGADHRLMBIU-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.80
Rot. Bonds3

About N-(4-methoxyphenyl)-N-methyl-1,2,3-benzotriazin-4-amine

N-(4-methoxyphenyl)-N-methyl-1,2,3-benzotriazin-4-amine (PubChem CID 11594165) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-N-methyl-1,2,3-benzotriazin-4-amine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-N-methyl-1,2,3-benzotriazin-4-amine
PubChem CID11594165
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC NameN-(4-methoxyphenyl)-N-methyl-1,2,3-benzotriazin-4-amine
SMILESCOc1ccc(N(C)c2nnnc3ccccc23)cc1
InChIInChI=1S/C15H14N4O/c1-19(11-7-9-12(20-2)10-8-11)15-13-5-3-4-6-14(13)16-18-17-15/h3-10H,1-2H3
InChIKeyUWWKGADHRLMBIU-UHFFFAOYSA-N
XLogP2.80
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Verubulin
CID 11414799
(2-Fluoromethyl-quinazolin-4-yl)-(4-methoxy-phenyl)-methyl-amine
CID 11208709
2-chloro-N-(4-methoxyphenyl)-N-methylquinazolin-4-amine
CID 11738112
N-(4-methoxyphenyl)-4-methylphthalazin-1-amine
CID 3124064
2-N-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-N-(4-methoxyphenyl)-4-N-methylquinazoline-2,4-diamine
CID 5913065
N*4*-(4-Methoxy-phenyl)-N*4*-methyl-N*2*-o-tolyl-quinazoline-2,4-diamine
CID 10406847
4-Quinazolinamine, 2-ethyl-N-(4-methoxyphenyl)-N-methyl-
CID 11162180
(2-Chloro-quinazolin-4-yl)-(4-trifluoromethoxy-phenyl)-methyl-amine
CID 11164045
4-Quinazolinamine, 7-azido-N-(4-methoxyphenyl)-N,2-dimethyl-
CID 11186268
4-Quinazolinamine, N-[4-(difluoromethoxy)phenyl]-N,2-dimethyl-
CID 11197822
(2-Dimethylamino-quinazolin-4-yl)-(4-methoxy-phenyl)-methyl-amine
CID 11232087
4-Quinazolinamine, 2-chloro-N-ethyl-N-(4-methoxyphenyl)-
CID 11232253

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-N-methyl-1,2,3-benzotriazin-4-amine?
The IUPAC name of N-(4-methoxyphenyl)-N-methyl-1,2,3-benzotriazin-4-amine (CID 11594165) is N-(4-methoxyphenyl)-N-methyl-1,2,3-benzotriazin-4-amine.
What is the SMILES notation for N-(4-methoxyphenyl)-N-methyl-1,2,3-benzotriazin-4-amine?
The canonical SMILES for N-(4-methoxyphenyl)-N-methyl-1,2,3-benzotriazin-4-amine is COc1ccc(N(C)c2nnnc3ccccc23)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-N-methyl-1,2,3-benzotriazin-4-amine?
The InChIKey is UWWKGADHRLMBIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c1-19(11-7-9-12(20-2)10-8-11)15-13-5-3-4-6-14(13)16-18-17-15/h3-10H,1-2H3.
What are the key properties of N-(4-methoxyphenyl)-N-methyl-1,2,3-benzotriazin-4-amine?
N-(4-methoxyphenyl)-N-methyl-1,2,3-benzotriazin-4-amine has a molecular weight of 266.30 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-N-methyl-1,2,3-benzotriazin-4-amine is sourced from PubChem (CID 11594165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).