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

C15H22N6 — CID 13267639

IUPAC3-[4-(3-phenylpropyl)piperazin-1-yl]-1H-1,2,4-triazol-5-amine
SMILESNc1nc(N2CCN(CCCc3ccccc3)CC2)n[nH]1
InChIInChI=1S/C15H22N6/c16-14-17-15(19-18-14)21-11-9-20(10-12-21)8-4-7-13-5-2-1-3-6-13/h1-3,5-6H,4,7-12H2,(H3,16,17,18,19)
InChIKeyOOYOPUDNAVZQPX-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.14
Rot. Bonds5

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

3-[4-(3-phenylpropyl)piperazin-1-yl]-1H-1,2,4-triazol-5-amine (PubChem CID 13267639) has the molecular formula C15H22N6 and a molecular weight of 286.38 g/mol. Its IUPAC name is 3-[4-(3-phenylpropyl)piperazin-1-yl]-1H-1,2,4-triazol-5-amine.

Molecular Properties

Compound Name3-[4-(3-phenylpropyl)piperazin-1-yl]-1H-1,2,4-triazol-5-amine
PubChem CID13267639
Molecular FormulaC15H22N6
Molecular Weight286.38 g/mol
Exact Mass286.19
IUPAC Name3-[4-(3-phenylpropyl)piperazin-1-yl]-1H-1,2,4-triazol-5-amine
SMILESNc1nc(N2CCN(CCCc3ccccc3)CC2)n[nH]1
InChIInChI=1S/C15H22N6/c16-14-17-15(19-18-14)21-11-9-20(10-12-21)8-4-7-13-5-2-1-3-6-13/h1-3,5-6H,4,7-12H2,(H3,16,17,18,19)
InChIKeyOOYOPUDNAVZQPX-UHFFFAOYSA-N
XLogP1.14
TPSA74.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]-1H-1,2,4-triazol-5-amine
CID 54155520
2-chloro-6-[4-(3-phenylpropyl)piperazin-1-yl]pyrazine
CID 110186182
3-(4-benzyl-3,3-dimethylpiperazin-1-yl)-1H-1,2,4-triazol-5-amine
CID 130765979
6-[4-[3-[4-(2-phenylethyl)piperazin-1-yl]propyl]phenyl]pyridin-2-amine
CID 18414443
3-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]-1H-1,2,4-triazol-5-amine
CID 122607699
3-[4-(3-phenylpropyl)piperazin-1-yl]pyridazine
CID 15124613
1-[4-(5-amino-1H-1,2,4-triazol-3-yl)piperazin-1-yl]-2-phenoxyethanone
CID 118165179
8-[4-(3-phenylpropyl)piperazin-1-yl]-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine;dihydrochloride
CID 67279790
1-(3-phenylpropyl)-4-pyrazin-2-yl-1,4-diazepane
CID 70713672
3-[3-(4-benzylpiperidin-1-yl)propylsulfanyl]-1H-1,2,4-triazol-5-amine
CID 12045492
4-[3-(4-phenylpiperazin-1-yl)propyl]benzene-1,2-diamine
CID 11001412
1-(5-amino-1H-1,2,4-triazol-3-yl)-N-[2-(4-ethylphenyl)ethyl]-N-methylpiperidin-4-amine
CID 118165413

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-phenylpropyl)piperazin-1-yl]-1H-1,2,4-triazol-5-amine?
The IUPAC name of 3-[4-(3-phenylpropyl)piperazin-1-yl]-1H-1,2,4-triazol-5-amine (CID 13267639) is 3-[4-(3-phenylpropyl)piperazin-1-yl]-1H-1,2,4-triazol-5-amine.
What is the SMILES notation for 3-[4-(3-phenylpropyl)piperazin-1-yl]-1H-1,2,4-triazol-5-amine?
The canonical SMILES for 3-[4-(3-phenylpropyl)piperazin-1-yl]-1H-1,2,4-triazol-5-amine is Nc1nc(N2CCN(CCCc3ccccc3)CC2)n[nH]1.
What is the InChIKey of 3-[4-(3-phenylpropyl)piperazin-1-yl]-1H-1,2,4-triazol-5-amine?
The InChIKey is OOYOPUDNAVZQPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6/c16-14-17-15(19-18-14)21-11-9-20(10-12-21)8-4-7-13-5-2-1-3-6-13/h1-3,5-6H,4,7-12H2,(H3,16,17,18,19).
What are the key properties of 3-[4-(3-phenylpropyl)piperazin-1-yl]-1H-1,2,4-triazol-5-amine?
3-[4-(3-phenylpropyl)piperazin-1-yl]-1H-1,2,4-triazol-5-amine has a molecular weight of 286.38 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-phenylpropyl)piperazin-1-yl]-1H-1,2,4-triazol-5-amine is sourced from PubChem (CID 13267639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).