1-ethyl-4-[[3-(2-phenylethyl)-1H-1,2,4-triazol-5-yl]methyl]piperazine

C17H25N5 — CID 50980299

IUPAC1-ethyl-4-[[3-(2-phenylethyl)-1H-1,2,4-triazol-5-yl]methyl]piperazine
SMILESCCN1CCN(Cc2nc(CCc3ccccc3)n[nH]2)CC1
InChIInChI=1S/C17H25N5/c1-2-21-10-12-22(13-11-21)14-17-18-16(19-20-17)9-8-15-6-4-3-5-7-15/h3-7H,2,8-14H2,1H3,(H,18,19,20)
InChIKeyFSLFYQZHJBKWEH-UHFFFAOYSA-N
MW299.42 g/mol
LogP1.73
Rot. Bonds6

About 1-ethyl-4-[[3-(2-phenylethyl)-1H-1,2,4-triazol-5-yl]methyl]piperazine

1-ethyl-4-[[3-(2-phenylethyl)-1H-1,2,4-triazol-5-yl]methyl]piperazine (PubChem CID 50980299) has the molecular formula C17H25N5 and a molecular weight of 299.42 g/mol. Its IUPAC name is 1-ethyl-4-[[3-(2-phenylethyl)-1H-1,2,4-triazol-5-yl]methyl]piperazine.

Molecular Properties

Compound Name1-ethyl-4-[[3-(2-phenylethyl)-1H-1,2,4-triazol-5-yl]methyl]piperazine
PubChem CID50980299
Molecular FormulaC17H25N5
Molecular Weight299.42 g/mol
Exact Mass299.21
IUPAC Name1-ethyl-4-[[3-(2-phenylethyl)-1H-1,2,4-triazol-5-yl]methyl]piperazine
SMILESCCN1CCN(Cc2nc(CCc3ccccc3)n[nH]2)CC1
InChIInChI=1S/C17H25N5/c1-2-21-10-12-22(13-11-21)14-17-18-16(19-20-17)9-8-15-6-4-3-5-7-15/h3-7H,2,8-14H2,1H3,(H,18,19,20)
InChIKeyFSLFYQZHJBKWEH-UHFFFAOYSA-N
XLogP1.73
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-Amino-3,5-dibenzyl-1,2,4-triazole
CID 96265
3-benzyl-4H-1,2,4-triazole
CID 594447
3-(Phenylmethyl)-1H-1,2,4-triazol-5-amine
CID 1116697
4-Benzyl-1-[3-(5-methyl-2H-[1,2,4]triazol-3-ylsulfanyl)-propyl]-piperidine
CID 12045494
4-Benzyl-1-[2-(5-methyl-2H-[1,2,4]triazol-3-ylsulfanyl)-ethyl]-piperidine
CID 44366109
3-[4-(2-phenylethyl)piperazin-1-yl]-1H-1,2,4-triazol-5-amine
CID 13267633
3-[4-(3-phenylpropyl)piperazin-1-yl]-1H-1,2,4-triazol-5-amine
CID 13267639
5-Phenethyl-1H-(1,2,4)triazol-3-ylamine
CID 1089053
3-benzyl-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine
CID 46941623
3-((3-fluorophenyl)methyl)-5H,6H,7H,8H-(1,2,4)triazolo(4,3-a)pyrazine
CID 62586441
(3-phenyl-1H-1,2,4-triazol-5-yl)methanamine hydrochloride
CID 47002533
4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine hydrochloride
CID 47002693

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[[3-(2-phenylethyl)-1H-1,2,4-triazol-5-yl]methyl]piperazine?
The IUPAC name of 1-ethyl-4-[[3-(2-phenylethyl)-1H-1,2,4-triazol-5-yl]methyl]piperazine (CID 50980299) is 1-ethyl-4-[[3-(2-phenylethyl)-1H-1,2,4-triazol-5-yl]methyl]piperazine.
What is the SMILES notation for 1-ethyl-4-[[3-(2-phenylethyl)-1H-1,2,4-triazol-5-yl]methyl]piperazine?
The canonical SMILES for 1-ethyl-4-[[3-(2-phenylethyl)-1H-1,2,4-triazol-5-yl]methyl]piperazine is CCN1CCN(Cc2nc(CCc3ccccc3)n[nH]2)CC1.
What is the InChIKey of 1-ethyl-4-[[3-(2-phenylethyl)-1H-1,2,4-triazol-5-yl]methyl]piperazine?
The InChIKey is FSLFYQZHJBKWEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5/c1-2-21-10-12-22(13-11-21)14-17-18-16(19-20-17)9-8-15-6-4-3-5-7-15/h3-7H,2,8-14H2,1H3,(H,18,19,20).
What are the key properties of 1-ethyl-4-[[3-(2-phenylethyl)-1H-1,2,4-triazol-5-yl]methyl]piperazine?
1-ethyl-4-[[3-(2-phenylethyl)-1H-1,2,4-triazol-5-yl]methyl]piperazine has a molecular weight of 299.42 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[[3-(2-phenylethyl)-1H-1,2,4-triazol-5-yl]methyl]piperazine is sourced from PubChem (CID 50980299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).