1-cyclohexyl-4-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperazine

C16H29N5 — CID 91835639

IUPAC1-cyclohexyl-4-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperazine
SMILESCC(C)n1cnnc1CN1CCN(C2CCCCC2)CC1
InChIInChI=1S/C16H29N5/c1-14(2)21-13-17-18-16(21)12-19-8-10-20(11-9-19)15-6-4-3-5-7-15/h13-15H,3-12H2,1-2H3
InChIKeyYNJQLAHVYHAHAB-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.31
Rot. Bonds4

About 1-cyclohexyl-4-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperazine

1-cyclohexyl-4-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperazine (PubChem CID 91835639) has the molecular formula C16H29N5 and a molecular weight of 291.44 g/mol. Its IUPAC name is 1-cyclohexyl-4-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperazine.

Molecular Properties

Compound Name1-cyclohexyl-4-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperazine
PubChem CID91835639
Molecular FormulaC16H29N5
Molecular Weight291.44 g/mol
Exact Mass291.24
IUPAC Name1-cyclohexyl-4-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperazine
SMILESCC(C)n1cnnc1CN1CCN(C2CCCCC2)CC1
InChIInChI=1S/C16H29N5/c1-14(2)21-13-17-18-16(21)12-19-8-10-20(11-9-19)15-6-4-3-5-7-15/h13-15H,3-12H2,1-2H3
InChIKeyYNJQLAHVYHAHAB-UHFFFAOYSA-N
XLogP2.31
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperazine?
The IUPAC name of 1-cyclohexyl-4-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperazine (CID 91835639) is 1-cyclohexyl-4-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperazine.
What is the SMILES notation for 1-cyclohexyl-4-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperazine?
The canonical SMILES for 1-cyclohexyl-4-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperazine is CC(C)n1cnnc1CN1CCN(C2CCCCC2)CC1.
What is the InChIKey of 1-cyclohexyl-4-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperazine?
The InChIKey is YNJQLAHVYHAHAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5/c1-14(2)21-13-17-18-16(21)12-19-8-10-20(11-9-19)15-6-4-3-5-7-15/h13-15H,3-12H2,1-2H3.
What are the key properties of 1-cyclohexyl-4-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperazine?
1-cyclohexyl-4-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperazine has a molecular weight of 291.44 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperazine is sourced from PubChem (CID 91835639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).