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

C17H25N5 — CID 139017912

IUPAC1-phenyl-4-[2-(5-propyl-1H-1,2,4-triazol-3-yl)ethyl]piperazine
SMILESCCCc1nc(CCN2CCN(c3ccccc3)CC2)n[nH]1
InChIInChI=1S/C17H25N5/c1-2-6-16-18-17(20-19-16)9-10-21-11-13-22(14-12-21)15-7-4-3-5-8-15/h3-5,7-8H,2,6,9-14H2,1H3,(H,18,19,20)
InChIKeyYMMNITJQYKAUDC-UHFFFAOYSA-N
MW299.42 g/mol
LogP2.12
Rot. Bonds6

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

1-phenyl-4-[2-(5-propyl-1H-1,2,4-triazol-3-yl)ethyl]piperazine (PubChem CID 139017912) has the molecular formula C17H25N5 and a molecular weight of 299.42 g/mol. Its IUPAC name is 1-phenyl-4-[2-(5-propyl-1H-1,2,4-triazol-3-yl)ethyl]piperazine.

Molecular Properties

Compound Name1-phenyl-4-[2-(5-propyl-1H-1,2,4-triazol-3-yl)ethyl]piperazine
PubChem CID139017912
Molecular FormulaC17H25N5
Molecular Weight299.42 g/mol
Exact Mass299.21
IUPAC Name1-phenyl-4-[2-(5-propyl-1H-1,2,4-triazol-3-yl)ethyl]piperazine
SMILESCCCc1nc(CCN2CCN(c3ccccc3)CC2)n[nH]1
InChIInChI=1S/C17H25N5/c1-2-6-16-18-17(20-19-16)9-10-21-11-13-22(14-12-21)15-7-4-3-5-8-15/h3-5,7-8H,2,6,9-14H2,1H3,(H,18,19,20)
InChIKeyYMMNITJQYKAUDC-UHFFFAOYSA-N
XLogP2.12
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 ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-methyl-3-propylphenyl)ethyl]-4-phenylpiperazine
CID 44555266
1-phenyl-4-(4-propylphenyl)piperazine
CID 141108902
5-(phenoxymethyl)-3-propyl-1H-1,2,4-triazole
CID 61336343
1-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-4-phenylpiperazine
CID 10404561
2-(4-phenylpiperazin-1-yl)-4-propyl-1H-pyrimidin-6-one
CID 135456330
1-[2-(3-methyl-2H-pyrrol-5-yl)ethyl]-4-phenylpiperazine
CID 156720232
5-methoxy-3-[2-(4-phenylpiperazin-1-yl)ethyl]-2H-indazole
CID 154090742
1-[2-[(3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]ethyl]-4-phenylpiperazine
CID 124750539
6-[4-[2-(4-phenylpiperazin-1-yl)ethyl]phenyl]pyridin-2-amine
CID 12016074
1-phenyl-4-[2-(2,6,6-trimethylcyclohexen-1-yl)ethyl]piperazine
CID 1375631
1-[2-(2,5-dichlorophenyl)ethyl]-4-phenylpiperazine
CID 70247094
1-(4-fluorophenyl)-4-[2-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)ethyl]piperazine
CID 15575683

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4-[2-(5-propyl-1H-1,2,4-triazol-3-yl)ethyl]piperazine?
The IUPAC name of 1-phenyl-4-[2-(5-propyl-1H-1,2,4-triazol-3-yl)ethyl]piperazine (CID 139017912) is 1-phenyl-4-[2-(5-propyl-1H-1,2,4-triazol-3-yl)ethyl]piperazine.
What is the SMILES notation for 1-phenyl-4-[2-(5-propyl-1H-1,2,4-triazol-3-yl)ethyl]piperazine?
The canonical SMILES for 1-phenyl-4-[2-(5-propyl-1H-1,2,4-triazol-3-yl)ethyl]piperazine is CCCc1nc(CCN2CCN(c3ccccc3)CC2)n[nH]1.
What is the InChIKey of 1-phenyl-4-[2-(5-propyl-1H-1,2,4-triazol-3-yl)ethyl]piperazine?
The InChIKey is YMMNITJQYKAUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5/c1-2-6-16-18-17(20-19-16)9-10-21-11-13-22(14-12-21)15-7-4-3-5-8-15/h3-5,7-8H,2,6,9-14H2,1H3,(H,18,19,20).
What are the key properties of 1-phenyl-4-[2-(5-propyl-1H-1,2,4-triazol-3-yl)ethyl]piperazine?
1-phenyl-4-[2-(5-propyl-1H-1,2,4-triazol-3-yl)ethyl]piperazine has a molecular weight of 299.42 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4-[2-(5-propyl-1H-1,2,4-triazol-3-yl)ethyl]piperazine is sourced from PubChem (CID 139017912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).