5-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-prop-2-enyl-1,2,4-triazin-3-amine

C19H24N6 — CID 112939742

IUPAC5-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-prop-2-enyl-1,2,4-triazin-3-amine
SMILESC=CCNc1nncc(N2CCN(C/C=C/c3ccccc3)CC2)n1
InChIInChI=1S/C19H24N6/c1-2-10-20-19-22-18(16-21-23-19)25-14-12-24(13-15-25)11-6-9-17-7-4-3-5-8-17/h2-9,16H,1,10-15H2,(H,20,22,23)/b9-6+
InChIKeyNXFQKCPDKRDYPI-RMKNXTFCSA-N
MW336.44 g/mol
LogP2.30
Rot. Bonds7

About 5-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-prop-2-enyl-1,2,4-triazin-3-amine

5-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-prop-2-enyl-1,2,4-triazin-3-amine (PubChem CID 112939742) has the molecular formula C19H24N6 and a molecular weight of 336.44 g/mol. Its IUPAC name is 5-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-prop-2-enyl-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-prop-2-enyl-1,2,4-triazin-3-amine
PubChem CID112939742
Molecular FormulaC19H24N6
Molecular Weight336.44 g/mol
Exact Mass336.21
IUPAC Name5-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-prop-2-enyl-1,2,4-triazin-3-amine
SMILESC=CCNc1nncc(N2CCN(C/C=C/c3ccccc3)CC2)n1
InChIInChI=1S/C19H24N6/c1-2-10-20-19-22-18(16-21-23-19)25-14-12-24(13-15-25)11-6-9-17-7-4-3-5-8-17/h2-9,16H,1,10-15H2,(H,20,22,23)/b9-6+
InChIKeyNXFQKCPDKRDYPI-RMKNXTFCSA-N
XLogP2.30
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-propan-2-yl-1,2,4-triazin-3-amine
CID 112938955
4-[3-(prop-2-enylamino)-1,2,4-triazin-5-yl]piperazine-1-carbaldehyde
CID 112939694
6-methyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-prop-2-enylpyrimidin-4-amine
CID 112907751
2-chloro-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrazine
CID 51308937
N-phenyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-2-amine
CID 112898562
N-cyclohexyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-2-amine
CID 112884982
6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrazine-2-carboxamide
CID 56702748
N-(2-methoxyethyl)-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-2-amine
CID 112885899
[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-[5-(prop-2-enylamino)pyrazin-2-yl]methanone
CID 109272208
4-(4-ethylpiperazin-1-yl)-N-prop-2-enylpyrimidin-2-amine
CID 112882670
N-cyclopropyl-4-methyl-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-2-amine
CID 112907586
2-(4-ethylpiperazin-1-yl)-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidine
CID 112888421

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-prop-2-enyl-1,2,4-triazin-3-amine?
The IUPAC name of 5-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-prop-2-enyl-1,2,4-triazin-3-amine (CID 112939742) is 5-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-prop-2-enyl-1,2,4-triazin-3-amine.
What is the SMILES notation for 5-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-prop-2-enyl-1,2,4-triazin-3-amine?
The canonical SMILES for 5-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-prop-2-enyl-1,2,4-triazin-3-amine is C=CCNc1nncc(N2CCN(C/C=C/c3ccccc3)CC2)n1.
What is the InChIKey of 5-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-prop-2-enyl-1,2,4-triazin-3-amine?
The InChIKey is NXFQKCPDKRDYPI-RMKNXTFCSA-N. The full InChI is InChI=1S/C19H24N6/c1-2-10-20-19-22-18(16-21-23-19)25-14-12-24(13-15-25)11-6-9-17-7-4-3-5-8-17/h2-9,16H,1,10-15H2,(H,20,22,23)/b9-6+.
What are the key properties of 5-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-prop-2-enyl-1,2,4-triazin-3-amine?
5-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-prop-2-enyl-1,2,4-triazin-3-amine has a molecular weight of 336.44 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-prop-2-enyl-1,2,4-triazin-3-amine is sourced from PubChem (CID 112939742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).