2-[1-cyclohexyl-5-[3-(4-methylpiperazin-1-yl)butyl]-1,2,4-triazol-3-yl]acetamide

C19H34N6O — CID 72900090

IUPAC2-[1-cyclohexyl-5-[3-(4-methylpiperazin-1-yl)butyl]-1,2,4-triazol-3-yl]acetamide
SMILESCC(CCc1nc(CC(N)=O)nn1C1CCCCC1)N1CCN(C)CC1
InChIInChI=1S/C19H34N6O/c1-15(24-12-10-23(2)11-13-24)8-9-19-21-18(14-17(20)26)22-25(19)16-6-4-3-5-7-16/h15-16H,3-14H2,1-2H3,(H2,20,26)
InChIKeyVRIVDRSMEHSYKD-UHFFFAOYSA-N
MW362.52 g/mol
LogP1.38
Rot. Bonds7

About 2-[1-cyclohexyl-5-[3-(4-methylpiperazin-1-yl)butyl]-1,2,4-triazol-3-yl]acetamide

2-[1-cyclohexyl-5-[3-(4-methylpiperazin-1-yl)butyl]-1,2,4-triazol-3-yl]acetamide (PubChem CID 72900090) has the molecular formula C19H34N6O and a molecular weight of 362.52 g/mol. Its IUPAC name is 2-[1-cyclohexyl-5-[3-(4-methylpiperazin-1-yl)butyl]-1,2,4-triazol-3-yl]acetamide.

Molecular Properties

Compound Name2-[1-cyclohexyl-5-[3-(4-methylpiperazin-1-yl)butyl]-1,2,4-triazol-3-yl]acetamide
PubChem CID72900090
Molecular FormulaC19H34N6O
Molecular Weight362.52 g/mol
Exact Mass362.28
IUPAC Name2-[1-cyclohexyl-5-[3-(4-methylpiperazin-1-yl)butyl]-1,2,4-triazol-3-yl]acetamide
SMILESCC(CCc1nc(CC(N)=O)nn1C1CCCCC1)N1CCN(C)CC1
InChIInChI=1S/C19H34N6O/c1-15(24-12-10-23(2)11-13-24)8-9-19-21-18(14-17(20)26)22-25(19)16-6-4-3-5-7-16/h15-16H,3-14H2,1-2H3,(H2,20,26)
InChIKeyVRIVDRSMEHSYKD-UHFFFAOYSA-N
XLogP1.38
TPSA80.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.52
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-cyclohexyl-5-[3-(4-methylpiperazin-1-yl)butyl]-1,2,4-triazol-3-yl]acetamide?
The IUPAC name of 2-[1-cyclohexyl-5-[3-(4-methylpiperazin-1-yl)butyl]-1,2,4-triazol-3-yl]acetamide (CID 72900090) is 2-[1-cyclohexyl-5-[3-(4-methylpiperazin-1-yl)butyl]-1,2,4-triazol-3-yl]acetamide.
What is the SMILES notation for 2-[1-cyclohexyl-5-[3-(4-methylpiperazin-1-yl)butyl]-1,2,4-triazol-3-yl]acetamide?
The canonical SMILES for 2-[1-cyclohexyl-5-[3-(4-methylpiperazin-1-yl)butyl]-1,2,4-triazol-3-yl]acetamide is CC(CCc1nc(CC(N)=O)nn1C1CCCCC1)N1CCN(C)CC1.
What is the InChIKey of 2-[1-cyclohexyl-5-[3-(4-methylpiperazin-1-yl)butyl]-1,2,4-triazol-3-yl]acetamide?
The InChIKey is VRIVDRSMEHSYKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N6O/c1-15(24-12-10-23(2)11-13-24)8-9-19-21-18(14-17(20)26)22-25(19)16-6-4-3-5-7-16/h15-16H,3-14H2,1-2H3,(H2,20,26).
What are the key properties of 2-[1-cyclohexyl-5-[3-(4-methylpiperazin-1-yl)butyl]-1,2,4-triazol-3-yl]acetamide?
2-[1-cyclohexyl-5-[3-(4-methylpiperazin-1-yl)butyl]-1,2,4-triazol-3-yl]acetamide has a molecular weight of 362.52 g/mol, XLogP of 1.38, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-cyclohexyl-5-[3-(4-methylpiperazin-1-yl)butyl]-1,2,4-triazol-3-yl]acetamide is sourced from PubChem (CID 72900090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).