3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]-1H-1,2,4-triazol-5-amine

C15H20N6 — CID 54155520

IUPAC3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]-1H-1,2,4-triazol-5-amine
SMILESNc1nc(N2CCN(CC=Cc3ccccc3)CC2)n[nH]1
InChIInChI=1S/C15H20N6/c16-14-17-15(19-18-14)21-11-9-20(10-12-21)8-4-7-13-5-2-1-3-6-13/h1-7H,8-12H2,(H3,16,17,18,19)
InChIKeyOKTSVRDBFUIJLK-UHFFFAOYSA-N
MW284.37 g/mol
LogP1.22
Rot. Bonds4

About 3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]-1H-1,2,4-triazol-5-amine

3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]-1H-1,2,4-triazol-5-amine (PubChem CID 54155520) has the molecular formula C15H20N6 and a molecular weight of 284.37 g/mol. Its IUPAC name is 3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]-1H-1,2,4-triazol-5-amine.

Molecular Properties

Compound Name3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]-1H-1,2,4-triazol-5-amine
PubChem CID54155520
Molecular FormulaC15H20N6
Molecular Weight284.37 g/mol
Exact Mass284.17
IUPAC Name3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]-1H-1,2,4-triazol-5-amine
SMILESNc1nc(N2CCN(CC=Cc3ccccc3)CC2)n[nH]1
InChIInChI=1S/C15H20N6/c16-14-17-15(19-18-14)21-11-9-20(10-12-21)8-4-7-13-5-2-1-3-6-13/h1-7H,8-12H2,(H3,16,17,18,19)
InChIKeyOKTSVRDBFUIJLK-UHFFFAOYSA-N
XLogP1.22
TPSA74.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.37
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(3-phenylpropyl)piperazin-1-yl]-1H-1,2,4-triazol-5-amine
CID 13267639
5-amino-3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]-1H-pyrazole-4-carbonitrile
CID 70487026
2-chloro-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrazine
CID 51308937
2-(4-ethylpiperazin-1-yl)-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidine
CID 112888421
1-(2-chlorophenyl)-4-(3-phenylprop-2-enyl)piperazine
CID 757459
6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrazine-2-carboxamide
CID 56702748
1-[4-(5-amino-1H-1,2,4-triazol-3-yl)piperazin-1-yl]-2-phenoxyethanone
CID 118165179
1-[(E)-3-phenylprop-2-enyl]azepane
CID 10867670
oxalic acid;1-phenyl-4-(3-phenylprop-2-enyl)piperazine
CID 171151210
5-nitro-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-4-amine
CID 66857392
3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]-6-pyrazol-1-ylpyridazine
CID 171148555
3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-6-pyrazol-1-ylpyridazine
CID 146079974

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]-1H-1,2,4-triazol-5-amine?
The IUPAC name of 3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]-1H-1,2,4-triazol-5-amine (CID 54155520) is 3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]-1H-1,2,4-triazol-5-amine.
What is the SMILES notation for 3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]-1H-1,2,4-triazol-5-amine?
The canonical SMILES for 3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]-1H-1,2,4-triazol-5-amine is Nc1nc(N2CCN(CC=Cc3ccccc3)CC2)n[nH]1.
What is the InChIKey of 3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]-1H-1,2,4-triazol-5-amine?
The InChIKey is OKTSVRDBFUIJLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6/c16-14-17-15(19-18-14)21-11-9-20(10-12-21)8-4-7-13-5-2-1-3-6-13/h1-7H,8-12H2,(H3,16,17,18,19).
What are the key properties of 3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]-1H-1,2,4-triazol-5-amine?
3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]-1H-1,2,4-triazol-5-amine has a molecular weight of 284.37 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]-1H-1,2,4-triazol-5-amine is sourced from PubChem (CID 54155520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).