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

C15H15N5 — CID 103204777

IUPACN-[1-(4-aminophenyl)ethyl]-1,2,4-benzotriazin-3-amine
SMILESCC(Nc1nnc2ccccc2n1)c1ccc(N)cc1
InChIInChI=1S/C15H15N5/c1-10(11-6-8-12(16)9-7-11)17-15-18-13-4-2-3-5-14(13)19-20-15/h2-10H,16H2,1H3,(H,17,18,20)
InChIKeyYJKAXVRFCUDDEN-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.78
Rot. Bonds3

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

N-[1-(4-aminophenyl)ethyl]-1,2,4-benzotriazin-3-amine (PubChem CID 103204777) has the molecular formula C15H15N5 and a molecular weight of 265.32 g/mol. Its IUPAC name is N-[1-(4-aminophenyl)ethyl]-1,2,4-benzotriazin-3-amine.

Molecular Properties

Compound NameN-[1-(4-aminophenyl)ethyl]-1,2,4-benzotriazin-3-amine
PubChem CID103204777
Molecular FormulaC15H15N5
Molecular Weight265.32 g/mol
Exact Mass265.13
IUPAC NameN-[1-(4-aminophenyl)ethyl]-1,2,4-benzotriazin-3-amine
SMILESCC(Nc1nnc2ccccc2n1)c1ccc(N)cc1
InChIInChI=1S/C15H15N5/c1-10(11-6-8-12(16)9-7-11)17-15-18-13-4-2-3-5-14(13)19-20-15/h2-10H,16H2,1H3,(H,17,18,20)
InChIKeyYJKAXVRFCUDDEN-UHFFFAOYSA-N
XLogP2.78
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[1-[4-(aminomethyl)phenyl]ethyl]-1,2,4-benzotriazin-3-amine
CID 103203877
N-(3-methylbutan-2-yl)-1,2,4-benzotriazin-3-amine
CID 103204067
N-[(4-propan-2-ylphenyl)methyl]-1,2,4-benzotriazin-3-amine
CID 103204232
N-[1-(2-chlorophenyl)ethyl]-1,2,4-benzotriazin-3-amine
CID 103204195
3-N-(1,2,4-benzotriazin-3-yl)-2-methylbutane-1,3-diamine
CID 103205232
N-(1-chloropropan-2-yl)-1,2,4-benzotriazin-3-amine
CID 103205096
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,4-benzotriazin-3-amine
CID 103204246
N-[1-(4-aminophenyl)ethyl]cinnolin-4-amine
CID 63587516
N-[1-(4-aminophenyl)ethyl]-2-methylquinolin-4-amine
CID 60869079
N-(2-phenylpropyl)-1,2,4-benzotriazin-3-amine
CID 103204477
N-(2,3-dimethylbutyl)-1,2,4-benzotriazin-3-amine
CID 103204337
N-[1-(4-aminophenyl)ethyl]-5-iodopyrimidin-2-amine
CID 116648717

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-aminophenyl)ethyl]-1,2,4-benzotriazin-3-amine?
The IUPAC name of N-[1-(4-aminophenyl)ethyl]-1,2,4-benzotriazin-3-amine (CID 103204777) is N-[1-(4-aminophenyl)ethyl]-1,2,4-benzotriazin-3-amine.
What is the SMILES notation for N-[1-(4-aminophenyl)ethyl]-1,2,4-benzotriazin-3-amine?
The canonical SMILES for N-[1-(4-aminophenyl)ethyl]-1,2,4-benzotriazin-3-amine is CC(Nc1nnc2ccccc2n1)c1ccc(N)cc1.
What is the InChIKey of N-[1-(4-aminophenyl)ethyl]-1,2,4-benzotriazin-3-amine?
The InChIKey is YJKAXVRFCUDDEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5/c1-10(11-6-8-12(16)9-7-11)17-15-18-13-4-2-3-5-14(13)19-20-15/h2-10H,16H2,1H3,(H,17,18,20).
What are the key properties of N-[1-(4-aminophenyl)ethyl]-1,2,4-benzotriazin-3-amine?
N-[1-(4-aminophenyl)ethyl]-1,2,4-benzotriazin-3-amine has a molecular weight of 265.32 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-aminophenyl)ethyl]-1,2,4-benzotriazin-3-amine is sourced from PubChem (CID 103204777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).