N-[(2-ethylphenyl)methyl]-1,2,4-benzotriazin-3-amine

C16H16N4 — CID 103204340

IUPACN-[(2-ethylphenyl)methyl]-1,2,4-benzotriazin-3-amine
SMILESCCc1ccccc1CNc1nnc2ccccc2n1
InChIInChI=1S/C16H16N4/c1-2-12-7-3-4-8-13(12)11-17-16-18-14-9-5-6-10-15(14)19-20-16/h3-10H,2,11H2,1H3,(H,17,18,20)
InChIKeyOABUTBDAPBXWFD-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.20
Rot. Bonds4

About N-[(2-ethylphenyl)methyl]-1,2,4-benzotriazin-3-amine

N-[(2-ethylphenyl)methyl]-1,2,4-benzotriazin-3-amine (PubChem CID 103204340) has the molecular formula C16H16N4 and a molecular weight of 264.33 g/mol. Its IUPAC name is N-[(2-ethylphenyl)methyl]-1,2,4-benzotriazin-3-amine.

Molecular Properties

Compound NameN-[(2-ethylphenyl)methyl]-1,2,4-benzotriazin-3-amine
PubChem CID103204340
Molecular FormulaC16H16N4
Molecular Weight264.33 g/mol
Exact Mass264.14
IUPAC NameN-[(2-ethylphenyl)methyl]-1,2,4-benzotriazin-3-amine
SMILESCCc1ccccc1CNc1nnc2ccccc2n1
InChIInChI=1S/C16H16N4/c1-2-12-7-3-4-8-13(12)11-17-16-18-14-9-5-6-10-15(14)19-20-16/h3-10H,2,11H2,1H3,(H,17,18,20)
InChIKeyOABUTBDAPBXWFD-UHFFFAOYSA-N
XLogP3.20
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylphenyl)methyl]-1,2,4-benzotriazin-3-amine?
The IUPAC name of N-[(2-ethylphenyl)methyl]-1,2,4-benzotriazin-3-amine (CID 103204340) is N-[(2-ethylphenyl)methyl]-1,2,4-benzotriazin-3-amine.
What is the SMILES notation for N-[(2-ethylphenyl)methyl]-1,2,4-benzotriazin-3-amine?
The canonical SMILES for N-[(2-ethylphenyl)methyl]-1,2,4-benzotriazin-3-amine is CCc1ccccc1CNc1nnc2ccccc2n1.
What is the InChIKey of N-[(2-ethylphenyl)methyl]-1,2,4-benzotriazin-3-amine?
The InChIKey is OABUTBDAPBXWFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4/c1-2-12-7-3-4-8-13(12)11-17-16-18-14-9-5-6-10-15(14)19-20-16/h3-10H,2,11H2,1H3,(H,17,18,20).
What are the key properties of N-[(2-ethylphenyl)methyl]-1,2,4-benzotriazin-3-amine?
N-[(2-ethylphenyl)methyl]-1,2,4-benzotriazin-3-amine has a molecular weight of 264.33 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethylphenyl)methyl]-1,2,4-benzotriazin-3-amine is sourced from PubChem (CID 103204340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).