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

C15H13ClN4 — CID 103204195

IUPACN-[1-(2-chlorophenyl)ethyl]-1,2,4-benzotriazin-3-amine
SMILESCC(Nc1nnc2ccccc2n1)c1ccccc1Cl
InChIInChI=1S/C15H13ClN4/c1-10(11-6-2-3-7-12(11)16)17-15-18-13-8-4-5-9-14(13)19-20-15/h2-10H,1H3,(H,17,18,20)
InChIKeyOBCKXOBKYBPUKO-UHFFFAOYSA-N
MW284.75 g/mol
LogP3.85
Rot. Bonds3

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

N-[1-(2-chlorophenyl)ethyl]-1,2,4-benzotriazin-3-amine (PubChem CID 103204195) has the molecular formula C15H13ClN4 and a molecular weight of 284.75 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)ethyl]-1,2,4-benzotriazin-3-amine.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)ethyl]-1,2,4-benzotriazin-3-amine
PubChem CID103204195
Molecular FormulaC15H13ClN4
Molecular Weight284.75 g/mol
Exact Mass284.08
IUPAC NameN-[1-(2-chlorophenyl)ethyl]-1,2,4-benzotriazin-3-amine
SMILESCC(Nc1nnc2ccccc2n1)c1ccccc1Cl
InChIInChI=1S/C15H13ClN4/c1-10(11-6-2-3-7-12(11)16)17-15-18-13-8-4-5-9-14(13)19-20-15/h2-10H,1H3,(H,17,18,20)
InChIKeyOBCKXOBKYBPUKO-UHFFFAOYSA-N
XLogP3.85
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-chloropropan-2-yl)-1,2,4-benzotriazin-3-amine
CID 103205096
N-[1-(4-aminophenyl)ethyl]-1,2,4-benzotriazin-3-amine
CID 103204777
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,4-benzotriazin-3-amine
CID 103204246
N-[1-[4-(aminomethyl)phenyl]ethyl]-1,2,4-benzotriazin-3-amine
CID 103203877
N-[(1R)-1-(2-chlorophenyl)ethyl]pyridin-4-amine
CID 141011393
4-N-[1-(2-chlorophenyl)ethyl]-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine
CID 80783650
4-chloro-N-[1-(2-chlorophenyl)ethyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 62863071
3-N-(1,2,4-benzotriazin-3-yl)-2-methylbutane-1,3-diamine
CID 103205232
6-chloro-N-[1-(2-chlorophenyl)ethyl]-2-methylpyrimidin-4-amine
CID 55080193
2-N-[1-(2-chlorophenyl)ethyl]-6-ethoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80784410
(1S)-1-(2-chlorophenyl)-N-methylethanamine
CID 30073865
(1S)-N-[1-(1,3-benzothiazol-2-yl)ethyl]-1-(2-chlorophenyl)ethanamine
CID 81374029

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)ethyl]-1,2,4-benzotriazin-3-amine?
The IUPAC name of N-[1-(2-chlorophenyl)ethyl]-1,2,4-benzotriazin-3-amine (CID 103204195) is N-[1-(2-chlorophenyl)ethyl]-1,2,4-benzotriazin-3-amine.
What is the SMILES notation for N-[1-(2-chlorophenyl)ethyl]-1,2,4-benzotriazin-3-amine?
The canonical SMILES for N-[1-(2-chlorophenyl)ethyl]-1,2,4-benzotriazin-3-amine is CC(Nc1nnc2ccccc2n1)c1ccccc1Cl.
What is the InChIKey of N-[1-(2-chlorophenyl)ethyl]-1,2,4-benzotriazin-3-amine?
The InChIKey is OBCKXOBKYBPUKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4/c1-10(11-6-2-3-7-12(11)16)17-15-18-13-8-4-5-9-14(13)19-20-15/h2-10H,1H3,(H,17,18,20).
What are the key properties of N-[1-(2-chlorophenyl)ethyl]-1,2,4-benzotriazin-3-amine?
N-[1-(2-chlorophenyl)ethyl]-1,2,4-benzotriazin-3-amine has a molecular weight of 284.75 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)ethyl]-1,2,4-benzotriazin-3-amine is sourced from PubChem (CID 103204195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).