1-N-amino-1-N-[bis(prop-2-enyl)amino]benzene-1,2,4-triamine

C12H19N5 — CID 170172640

IUPAC1-N-amino-1-N-[bis(prop-2-enyl)amino]benzene-1,2,4-triamine
SMILESC=CCN(CC=C)N(N)c1ccc(N)cc1N
InChIInChI=1S/C12H19N5/c1-3-7-16(8-4-2)17(15)12-6-5-10(13)9-11(12)14/h3-6,9H,1-2,7-8,13-15H2
InChIKeyAVELXZKNIXUCBJ-UHFFFAOYSA-N
MW233.32 g/mol
LogP1.12
Rot. Bonds6

About 1-N-amino-1-N-[bis(prop-2-enyl)amino]benzene-1,2,4-triamine

1-N-amino-1-N-[bis(prop-2-enyl)amino]benzene-1,2,4-triamine (PubChem CID 170172640) has the molecular formula C12H19N5 and a molecular weight of 233.32 g/mol. Its IUPAC name is 1-N-amino-1-N-[bis(prop-2-enyl)amino]benzene-1,2,4-triamine.

Molecular Properties

Compound Name1-N-amino-1-N-[bis(prop-2-enyl)amino]benzene-1,2,4-triamine
PubChem CID170172640
Molecular FormulaC12H19N5
Molecular Weight233.32 g/mol
Exact Mass233.16
IUPAC Name1-N-amino-1-N-[bis(prop-2-enyl)amino]benzene-1,2,4-triamine
SMILESC=CCN(CC=C)N(N)c1ccc(N)cc1N
InChIInChI=1S/C12H19N5/c1-3-7-16(8-4-2)17(15)12-6-5-10(13)9-11(12)14/h3-6,9H,1-2,7-8,13-15H2
InChIKeyAVELXZKNIXUCBJ-UHFFFAOYSA-N
XLogP1.12
TPSA84.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-N-amino-1-N-[bis(prop-2-enyl)amino]benzene-1,2,4-triamine?
The IUPAC name of 1-N-amino-1-N-[bis(prop-2-enyl)amino]benzene-1,2,4-triamine (CID 170172640) is 1-N-amino-1-N-[bis(prop-2-enyl)amino]benzene-1,2,4-triamine.
What is the SMILES notation for 1-N-amino-1-N-[bis(prop-2-enyl)amino]benzene-1,2,4-triamine?
The canonical SMILES for 1-N-amino-1-N-[bis(prop-2-enyl)amino]benzene-1,2,4-triamine is C=CCN(CC=C)N(N)c1ccc(N)cc1N.
What is the InChIKey of 1-N-amino-1-N-[bis(prop-2-enyl)amino]benzene-1,2,4-triamine?
The InChIKey is AVELXZKNIXUCBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5/c1-3-7-16(8-4-2)17(15)12-6-5-10(13)9-11(12)14/h3-6,9H,1-2,7-8,13-15H2.
What are the key properties of 1-N-amino-1-N-[bis(prop-2-enyl)amino]benzene-1,2,4-triamine?
1-N-amino-1-N-[bis(prop-2-enyl)amino]benzene-1,2,4-triamine has a molecular weight of 233.32 g/mol, XLogP of 1.12, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-amino-1-N-[bis(prop-2-enyl)amino]benzene-1,2,4-triamine is sourced from PubChem (CID 170172640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).