7-phenyl-5,6,7,8-tetrahydro-1,2,4-benzotriazin-3-amine

C13H14N4 — CID 43134542

IUPAC7-phenyl-5,6,7,8-tetrahydro-1,2,4-benzotriazin-3-amine
SMILESNc1nnc2c(n1)CCC(c1ccccc1)C2
InChIInChI=1S/C13H14N4/c14-13-15-11-7-6-10(8-12(11)16-17-13)9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H2,14,15,17)
InChIKeyIGPNYFVPDVPCLU-UHFFFAOYSA-N
MW226.28 g/mol
LogP1.73
Rot. Bonds1

About 7-phenyl-5,6,7,8-tetrahydro-1,2,4-benzotriazin-3-amine

7-phenyl-5,6,7,8-tetrahydro-1,2,4-benzotriazin-3-amine (PubChem CID 43134542) has the molecular formula C13H14N4 and a molecular weight of 226.28 g/mol. Its IUPAC name is 7-phenyl-5,6,7,8-tetrahydro-1,2,4-benzotriazin-3-amine.

Molecular Properties

Compound Name7-phenyl-5,6,7,8-tetrahydro-1,2,4-benzotriazin-3-amine
PubChem CID43134542
Molecular FormulaC13H14N4
Molecular Weight226.28 g/mol
Exact Mass226.12
IUPAC Name7-phenyl-5,6,7,8-tetrahydro-1,2,4-benzotriazin-3-amine
SMILESNc1nnc2c(n1)CCC(c1ccccc1)C2
InChIInChI=1S/C13H14N4/c14-13-15-11-7-6-10(8-12(11)16-17-13)9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H2,14,15,17)
InChIKeyIGPNYFVPDVPCLU-UHFFFAOYSA-N
XLogP1.73
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-phenyl-5,6,7,8-tetrahydro-1,2,4-benzotriazin-3-amine?
The IUPAC name of 7-phenyl-5,6,7,8-tetrahydro-1,2,4-benzotriazin-3-amine (CID 43134542) is 7-phenyl-5,6,7,8-tetrahydro-1,2,4-benzotriazin-3-amine.
What is the SMILES notation for 7-phenyl-5,6,7,8-tetrahydro-1,2,4-benzotriazin-3-amine?
The canonical SMILES for 7-phenyl-5,6,7,8-tetrahydro-1,2,4-benzotriazin-3-amine is Nc1nnc2c(n1)CCC(c1ccccc1)C2.
What is the InChIKey of 7-phenyl-5,6,7,8-tetrahydro-1,2,4-benzotriazin-3-amine?
The InChIKey is IGPNYFVPDVPCLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4/c14-13-15-11-7-6-10(8-12(11)16-17-13)9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H2,14,15,17).
What are the key properties of 7-phenyl-5,6,7,8-tetrahydro-1,2,4-benzotriazin-3-amine?
7-phenyl-5,6,7,8-tetrahydro-1,2,4-benzotriazin-3-amine has a molecular weight of 226.28 g/mol, XLogP of 1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenyl-5,6,7,8-tetrahydro-1,2,4-benzotriazin-3-amine is sourced from PubChem (CID 43134542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).