N-but-3-enyl-1,2,4-benzotriazin-3-amine

C11H12N4 — CID 103204487

IUPACN-but-3-enyl-1,2,4-benzotriazin-3-amine
SMILESC=CCCNc1nnc2ccccc2n1
InChIInChI=1S/C11H12N4/c1-2-3-8-12-11-13-9-6-4-5-7-10(9)14-15-11/h2,4-7H,1,3,8H2,(H,12,13,15)
InChIKeyLZBKPBQMOQBCSC-UHFFFAOYSA-N
MW200.25 g/mol
LogP2.01
Rot. Bonds4

About N-but-3-enyl-1,2,4-benzotriazin-3-amine

N-but-3-enyl-1,2,4-benzotriazin-3-amine (PubChem CID 103204487) has the molecular formula C11H12N4 and a molecular weight of 200.25 g/mol. Its IUPAC name is N-but-3-enyl-1,2,4-benzotriazin-3-amine.

Molecular Properties

Compound NameN-but-3-enyl-1,2,4-benzotriazin-3-amine
PubChem CID103204487
Molecular FormulaC11H12N4
Molecular Weight200.25 g/mol
Exact Mass200.11
IUPAC NameN-but-3-enyl-1,2,4-benzotriazin-3-amine
SMILESC=CCCNc1nnc2ccccc2n1
InChIInChI=1S/C11H12N4/c1-2-3-8-12-11-13-9-6-4-5-7-10(9)14-15-11/h2,4-7H,1,3,8H2,(H,12,13,15)
InChIKeyLZBKPBQMOQBCSC-UHFFFAOYSA-N
XLogP2.01
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.25
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-but-3-enyl-1,2,4-benzotriazin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-(1,2,4-benzotriazin-3-yl)butane-1,4-diamine
CID 103203967
N-(3-methoxypropyl)-1,2,4-benzotriazin-3-amine
CID 103204068
1-N-(1,2,4-benzotriazin-3-yl)pentane-1,3-diamine
CID 103205234
2-[(1,2,4-benzotriazin-3-ylamino)methyl]phenol
CID 103204536
methyl 3-(1,2,4-benzotriazin-3-ylamino)propanoate
CID 103204118
N-[3-(1,2,4-benzotriazin-3-ylamino)propyl]methanesulfonamide
CID 106337308
3-(1,2,4-benzotriazin-3-ylamino)-N,N-dimethylpropanamide
CID 103204116
N-[2-(2-methoxyphenyl)ethyl]-1,2,4-benzotriazin-3-amine
CID 106261896
N'-(1,2,4-benzotriazin-3-yl)-N-cycloheptylethane-1,2-diamine
CID 103204756
N-(2-methoxypropyl)-1,2,4-benzotriazin-3-amine
CID 103204553
N-(3-methylsulfinylbutyl)-1,2,4-benzotriazin-3-amine
CID 103204512
N-(1,2,4-benzotriazin-3-yl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 106048642

Frequently Asked Questions

What is the IUPAC name of N-but-3-enyl-1,2,4-benzotriazin-3-amine?
The IUPAC name of N-but-3-enyl-1,2,4-benzotriazin-3-amine (CID 103204487) is N-but-3-enyl-1,2,4-benzotriazin-3-amine.
What is the SMILES notation for N-but-3-enyl-1,2,4-benzotriazin-3-amine?
The canonical SMILES for N-but-3-enyl-1,2,4-benzotriazin-3-amine is C=CCCNc1nnc2ccccc2n1.
What is the InChIKey of N-but-3-enyl-1,2,4-benzotriazin-3-amine?
The InChIKey is LZBKPBQMOQBCSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4/c1-2-3-8-12-11-13-9-6-4-5-7-10(9)14-15-11/h2,4-7H,1,3,8H2,(H,12,13,15).
What are the key properties of N-but-3-enyl-1,2,4-benzotriazin-3-amine?
N-but-3-enyl-1,2,4-benzotriazin-3-amine has a molecular weight of 200.25 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-enyl-1,2,4-benzotriazin-3-amine is sourced from PubChem (CID 103204487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).