1-[2-[4-[2-[4-(2,2-dimethylpropyl)triazol-1-yl]ethyl]cyclohexyl]ethyl]-4-(2-methylpropyl)triazole

C23H40N6 — CID 122660041

IUPAC1-[2-[4-[2-[4-(2,2-dimethylpropyl)triazol-1-yl]ethyl]cyclohexyl]ethyl]-4-(2-methylpropyl)triazole
SMILESCC(C)Cc1cn(CCC2CCC(CCn3cc(CC(C)(C)C)nn3)CC2)nn1
InChIInChI=1S/C23H40N6/c1-18(2)14-21-16-28(26-24-21)12-10-19-6-8-20(9-7-19)11-13-29-17-22(25-27-29)15-23(3,4)5/h16-20H,6-15H2,1-5H3
InChIKeyRVWFLXYATZKNTI-UHFFFAOYSA-N
MW400.62 g/mol
LogP4.94
Rot. Bonds9

About 1-[2-[4-[2-[4-(2,2-dimethylpropyl)triazol-1-yl]ethyl]cyclohexyl]ethyl]-4-(2-methylpropyl)triazole

1-[2-[4-[2-[4-(2,2-dimethylpropyl)triazol-1-yl]ethyl]cyclohexyl]ethyl]-4-(2-methylpropyl)triazole (PubChem CID 122660041) has the molecular formula C23H40N6 and a molecular weight of 400.62 g/mol. Its IUPAC name is 1-[2-[4-[2-[4-(2,2-dimethylpropyl)triazol-1-yl]ethyl]cyclohexyl]ethyl]-4-(2-methylpropyl)triazole.

Molecular Properties

Compound Name1-[2-[4-[2-[4-(2,2-dimethylpropyl)triazol-1-yl]ethyl]cyclohexyl]ethyl]-4-(2-methylpropyl)triazole
PubChem CID122660041
Molecular FormulaC23H40N6
Molecular Weight400.62 g/mol
Exact Mass400.33
IUPAC Name1-[2-[4-[2-[4-(2,2-dimethylpropyl)triazol-1-yl]ethyl]cyclohexyl]ethyl]-4-(2-methylpropyl)triazole
SMILESCC(C)Cc1cn(CCC2CCC(CCn3cc(CC(C)(C)C)nn3)CC2)nn1
InChIInChI=1S/C23H40N6/c1-18(2)14-21-16-28(26-24-21)12-10-19-6-8-20(9-7-19)11-13-29-17-22(25-27-29)15-23(3,4)5/h16-20H,6-15H2,1-5H3
InChIKeyRVWFLXYATZKNTI-UHFFFAOYSA-N
XLogP4.94
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.62
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2-methylpropyl)-1-[2-[[4-[2-[4-(2-methylpropyl)triazol-1-yl]ethoxymethyl]cyclohexyl]methoxy]ethyl]triazole
CID 118041103
4-(2-methylpropyl)-1-propyltriazole
CID 89029688
1-[3-(3,3-dimethylbutoxy)propyl]-4-(2-methylpropyl)triazole
CID 177117041
N-[[1-(2-cyclopropylethyl)triazol-4-yl]methyl]ethanamine
CID 66194675
3-[4-(2,2-dimethylpropyl)triazol-1-yl]-N-propan-2-ylpropan-1-amine
CID 166933487
1-(7,7-dimethyloctyl)-4-(2,2-dimethylpropyl)triazole
CID 138467323
4-[1-(2-cyclopropylethyl)triazol-4-yl]butan-1-amine
CID 104539266
3-[1-(2-cyclopropylethyl)triazol-4-yl]propanoic acid
CID 107460777
4-(2-methylpropyl)-1-(2-propoxyethyl)triazole
CID 118041077
4-(2,2-dimethylpropyl)-1-methyltriazole
CID 58079661
4-(2,2-dimethylpropyl)-1-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]triazole
CID 164700684
4-(2,2-dimethylpropyl)-1-[2-(2-propoxyethoxy)ethyl]triazole
CID 158140724

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[2-[4-(2,2-dimethylpropyl)triazol-1-yl]ethyl]cyclohexyl]ethyl]-4-(2-methylpropyl)triazole?
The IUPAC name of 1-[2-[4-[2-[4-(2,2-dimethylpropyl)triazol-1-yl]ethyl]cyclohexyl]ethyl]-4-(2-methylpropyl)triazole (CID 122660041) is 1-[2-[4-[2-[4-(2,2-dimethylpropyl)triazol-1-yl]ethyl]cyclohexyl]ethyl]-4-(2-methylpropyl)triazole.
What is the SMILES notation for 1-[2-[4-[2-[4-(2,2-dimethylpropyl)triazol-1-yl]ethyl]cyclohexyl]ethyl]-4-(2-methylpropyl)triazole?
The canonical SMILES for 1-[2-[4-[2-[4-(2,2-dimethylpropyl)triazol-1-yl]ethyl]cyclohexyl]ethyl]-4-(2-methylpropyl)triazole is CC(C)Cc1cn(CCC2CCC(CCn3cc(CC(C)(C)C)nn3)CC2)nn1.
What is the InChIKey of 1-[2-[4-[2-[4-(2,2-dimethylpropyl)triazol-1-yl]ethyl]cyclohexyl]ethyl]-4-(2-methylpropyl)triazole?
The InChIKey is RVWFLXYATZKNTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H40N6/c1-18(2)14-21-16-28(26-24-21)12-10-19-6-8-20(9-7-19)11-13-29-17-22(25-27-29)15-23(3,4)5/h16-20H,6-15H2,1-5H3.
What are the key properties of 1-[2-[4-[2-[4-(2,2-dimethylpropyl)triazol-1-yl]ethyl]cyclohexyl]ethyl]-4-(2-methylpropyl)triazole?
1-[2-[4-[2-[4-(2,2-dimethylpropyl)triazol-1-yl]ethyl]cyclohexyl]ethyl]-4-(2-methylpropyl)triazole has a molecular weight of 400.62 g/mol, XLogP of 4.94, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[2-[4-(2,2-dimethylpropyl)triazol-1-yl]ethyl]cyclohexyl]ethyl]-4-(2-methylpropyl)triazole is sourced from PubChem (CID 122660041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).