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

C19H26N6 — CID 112938955

IUPAC5-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-propan-2-yl-1,2,4-triazin-3-amine
SMILESCC(C)Nc1nncc(N2CCN(C/C=C/c3ccccc3)CC2)n1
InChIInChI=1S/C19H26N6/c1-16(2)21-19-22-18(15-20-23-19)25-13-11-24(12-14-25)10-6-9-17-7-4-3-5-8-17/h3-9,15-16H,10-14H2,1-2H3,(H,21,22,23)/b9-6+
InChIKeyFBXAFEWPBOKMDD-RMKNXTFCSA-N
MW338.46 g/mol
LogP2.53
Rot. Bonds6

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

5-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-propan-2-yl-1,2,4-triazin-3-amine (PubChem CID 112938955) has the molecular formula C19H26N6 and a molecular weight of 338.46 g/mol. Its IUPAC name is 5-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-propan-2-yl-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-propan-2-yl-1,2,4-triazin-3-amine
PubChem CID112938955
Molecular FormulaC19H26N6
Molecular Weight338.46 g/mol
Exact Mass338.22
IUPAC Name5-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-propan-2-yl-1,2,4-triazin-3-amine
SMILESCC(C)Nc1nncc(N2CCN(C/C=C/c3ccccc3)CC2)n1
InChIInChI=1S/C19H26N6/c1-16(2)21-19-22-18(15-20-23-19)25-13-11-24(12-14-25)10-6-9-17-7-4-3-5-8-17/h3-9,15-16H,10-14H2,1-2H3,(H,21,22,23)/b9-6+
InChIKeyFBXAFEWPBOKMDD-RMKNXTFCSA-N
XLogP2.53
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-prop-2-enyl-1,2,4-triazin-3-amine
CID 112939742
[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-[2-(propan-2-ylamino)pyrimidin-5-yl]methanone
CID 109247128
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-(1-phenylethyl)-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-4-amine
CID 112859315
N-cyclohexyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-2-amine
CID 112884982
2-methyl-N-(3-methylbutyl)-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-4-amine
CID 112875456
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
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
[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-[6-(propan-2-ylamino)pyrimidin-4-yl]methanone
CID 109338701

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-propan-2-yl-1,2,4-triazin-3-amine?
The IUPAC name of 5-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-propan-2-yl-1,2,4-triazin-3-amine (CID 112938955) is 5-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-propan-2-yl-1,2,4-triazin-3-amine.
What is the SMILES notation for 5-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-propan-2-yl-1,2,4-triazin-3-amine?
The canonical SMILES for 5-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-propan-2-yl-1,2,4-triazin-3-amine is CC(C)Nc1nncc(N2CCN(C/C=C/c3ccccc3)CC2)n1.
What is the InChIKey of 5-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-propan-2-yl-1,2,4-triazin-3-amine?
The InChIKey is FBXAFEWPBOKMDD-RMKNXTFCSA-N. The full InChI is InChI=1S/C19H26N6/c1-16(2)21-19-22-18(15-20-23-19)25-13-11-24(12-14-25)10-6-9-17-7-4-3-5-8-17/h3-9,15-16H,10-14H2,1-2H3,(H,21,22,23)/b9-6+.
What are the key properties of 5-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-propan-2-yl-1,2,4-triazin-3-amine?
5-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-propan-2-yl-1,2,4-triazin-3-amine has a molecular weight of 338.46 g/mol, XLogP of 2.53, 6 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-propan-2-yl-1,2,4-triazin-3-amine is sourced from PubChem (CID 112938955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).