1-[1-[2-tert-butyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]-4-methylpiperazine

C17H33N5 — CID 131909626

IUPAC1-[1-[2-tert-butyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]-4-methylpiperazine
SMILESCC(C)Cc1nc(C(C)N2CCN(C)CC2)n(C(C)(C)C)n1
InChIInChI=1S/C17H33N5/c1-13(2)12-15-18-16(22(19-15)17(4,5)6)14(3)21-10-8-20(7)9-11-21/h13-14H,8-12H2,1-7H3
InChIKeyZLJOTTBCEZZLOT-UHFFFAOYSA-N
MW307.49 g/mol
LogP2.54
Rot. Bonds4

About 1-[1-[2-tert-butyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]-4-methylpiperazine

1-[1-[2-tert-butyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]-4-methylpiperazine (PubChem CID 131909626) has the molecular formula C17H33N5 and a molecular weight of 307.49 g/mol. Its IUPAC name is 1-[1-[2-tert-butyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[1-[2-tert-butyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]-4-methylpiperazine
PubChem CID131909626
Molecular FormulaC17H33N5
Molecular Weight307.49 g/mol
Exact Mass307.27
IUPAC Name1-[1-[2-tert-butyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]-4-methylpiperazine
SMILESCC(C)Cc1nc(C(C)N2CCN(C)CC2)n(C(C)(C)C)n1
InChIInChI=1S/C17H33N5/c1-13(2)12-15-18-16(22(19-15)17(4,5)6)14(3)21-10-8-20(7)9-11-21/h13-14H,8-12H2,1-7H3
InChIKeyZLJOTTBCEZZLOT-UHFFFAOYSA-N
XLogP2.54
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.49
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-tert-butyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]-4-methylpiperazine?
The IUPAC name of 1-[1-[2-tert-butyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]-4-methylpiperazine (CID 131909626) is 1-[1-[2-tert-butyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]-4-methylpiperazine.
What is the SMILES notation for 1-[1-[2-tert-butyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]-4-methylpiperazine?
The canonical SMILES for 1-[1-[2-tert-butyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]-4-methylpiperazine is CC(C)Cc1nc(C(C)N2CCN(C)CC2)n(C(C)(C)C)n1.
What is the InChIKey of 1-[1-[2-tert-butyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]-4-methylpiperazine?
The InChIKey is ZLJOTTBCEZZLOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N5/c1-13(2)12-15-18-16(22(19-15)17(4,5)6)14(3)21-10-8-20(7)9-11-21/h13-14H,8-12H2,1-7H3.
What are the key properties of 1-[1-[2-tert-butyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]-4-methylpiperazine?
1-[1-[2-tert-butyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]-4-methylpiperazine has a molecular weight of 307.49 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-tert-butyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]-4-methylpiperazine is sourced from PubChem (CID 131909626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).