N-[2-(2-methoxyphenyl)ethyl]-1,2,4-benzotriazin-3-amine

C16H16N4O — CID 106261896

IUPACN-[2-(2-methoxyphenyl)ethyl]-1,2,4-benzotriazin-3-amine
SMILESCOc1ccccc1CCNc1nnc2ccccc2n1
InChIInChI=1S/C16H16N4O/c1-21-15-9-5-2-6-12(15)10-11-17-16-18-13-7-3-4-8-14(13)19-20-16/h2-9H,10-11H2,1H3,(H,17,18,20)
InChIKeyMPFVJDWVIMYPJS-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.69
Rot. Bonds5

About N-[2-(2-methoxyphenyl)ethyl]-1,2,4-benzotriazin-3-amine

N-[2-(2-methoxyphenyl)ethyl]-1,2,4-benzotriazin-3-amine (PubChem CID 106261896) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is N-[2-(2-methoxyphenyl)ethyl]-1,2,4-benzotriazin-3-amine.

Molecular Properties

Compound NameN-[2-(2-methoxyphenyl)ethyl]-1,2,4-benzotriazin-3-amine
PubChem CID106261896
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC NameN-[2-(2-methoxyphenyl)ethyl]-1,2,4-benzotriazin-3-amine
SMILESCOc1ccccc1CCNc1nnc2ccccc2n1
InChIInChI=1S/C16H16N4O/c1-21-15-9-5-2-6-12(15)10-11-17-16-18-13-7-3-4-8-14(13)19-20-16/h2-9H,10-11H2,1H3,(H,17,18,20)
InChIKeyMPFVJDWVIMYPJS-UHFFFAOYSA-N
XLogP2.69
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-N-[2-(2-methoxyphenyl)ethyl]-5-N-[(2-methoxyphenyl)methyl]-1,2,4-triazine-3,5-diamine
CID 112950746
N-(3-methoxypropyl)-1,2,4-benzotriazin-3-amine
CID 103204068
3-N-[2-(2-methoxyphenyl)ethyl]-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine
CID 112938733
methyl 3-(1,2,4-benzotriazin-3-ylamino)propanoate
CID 103204118
6-chloro-4-N-ethyl-2-N-[2-(2-methoxyphenyl)ethyl]-1,3,5-triazine-2,4-diamine
CID 106262673
N-[(2-methoxy-3-pyridinyl)methyl]-1,2,4-benzotriazin-3-amine
CID 103204100
3-N-[2-(2-methoxyphenyl)ethyl]-5-N-(3-methoxypropyl)-1,2,4-triazine-3,5-diamine
CID 112943696
2-[(1,2,4-benzotriazin-3-ylamino)methyl]phenol
CID 103204536
5-bromo-4-N-[2-(2-methoxyphenyl)ethyl]-2-N-methylpyrimidine-2,4-diamine
CID 106262690
4-N-(2-methoxyethyl)-2-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112885690
N-[(2-methoxyphenyl)methyl]quinazolin-2-amine
CID 114788826
N-but-3-enyl-1,2,4-benzotriazin-3-amine
CID 103204487

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-1,2,4-benzotriazin-3-amine?
The IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-1,2,4-benzotriazin-3-amine (CID 106261896) is N-[2-(2-methoxyphenyl)ethyl]-1,2,4-benzotriazin-3-amine.
What is the SMILES notation for N-[2-(2-methoxyphenyl)ethyl]-1,2,4-benzotriazin-3-amine?
The canonical SMILES for N-[2-(2-methoxyphenyl)ethyl]-1,2,4-benzotriazin-3-amine is COc1ccccc1CCNc1nnc2ccccc2n1.
What is the InChIKey of N-[2-(2-methoxyphenyl)ethyl]-1,2,4-benzotriazin-3-amine?
The InChIKey is MPFVJDWVIMYPJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-21-15-9-5-2-6-12(15)10-11-17-16-18-13-7-3-4-8-14(13)19-20-16/h2-9H,10-11H2,1H3,(H,17,18,20).
What are the key properties of N-[2-(2-methoxyphenyl)ethyl]-1,2,4-benzotriazin-3-amine?
N-[2-(2-methoxyphenyl)ethyl]-1,2,4-benzotriazin-3-amine has a molecular weight of 280.33 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenyl)ethyl]-1,2,4-benzotriazin-3-amine is sourced from PubChem (CID 106261896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).