4-(methoxymethyl)-1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]triazole

C14H25N3O — CID 130273558

IUPAC4-(methoxymethyl)-1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]triazole
SMILESCOCc1cn([C@@H]2C[C@H](C)CC[C@H]2C(C)C)nn1
InChIInChI=1S/C14H25N3O/c1-10(2)13-6-5-11(3)7-14(13)17-8-12(9-18-4)15-16-17/h8,10-11,13-14H,5-7,9H2,1-4H3/t11-,13+,14-/m1/s1
InChIKeyFJSPDWHNVQBEOG-KWCYVHTRSA-N
MW251.37 g/mol
LogP3.06
Rot. Bonds4

About 4-(methoxymethyl)-1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]triazole

4-(methoxymethyl)-1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]triazole (PubChem CID 130273558) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 4-(methoxymethyl)-1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]triazole.

Molecular Properties

Compound Name4-(methoxymethyl)-1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]triazole
PubChem CID130273558
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name4-(methoxymethyl)-1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]triazole
SMILESCOCc1cn([C@@H]2C[C@H](C)CC[C@H]2C(C)C)nn1
InChIInChI=1S/C14H25N3O/c1-10(2)13-6-5-11(3)7-14(13)17-8-12(9-18-4)15-16-17/h8,10-11,13-14H,5-7,9H2,1-4H3/t11-,13+,14-/m1/s1
InChIKeyFJSPDWHNVQBEOG-KWCYVHTRSA-N
XLogP3.06
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]triazole?
The IUPAC name of 4-(methoxymethyl)-1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]triazole (CID 130273558) is 4-(methoxymethyl)-1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]triazole.
What is the SMILES notation for 4-(methoxymethyl)-1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]triazole?
The canonical SMILES for 4-(methoxymethyl)-1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]triazole is COCc1cn([C@@H]2C[C@H](C)CC[C@H]2C(C)C)nn1.
What is the InChIKey of 4-(methoxymethyl)-1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]triazole?
The InChIKey is FJSPDWHNVQBEOG-KWCYVHTRSA-N. The full InChI is InChI=1S/C14H25N3O/c1-10(2)13-6-5-11(3)7-14(13)17-8-12(9-18-4)15-16-17/h8,10-11,13-14H,5-7,9H2,1-4H3/t11-,13+,14-/m1/s1.
What are the key properties of 4-(methoxymethyl)-1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]triazole?
4-(methoxymethyl)-1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]triazole has a molecular weight of 251.37 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]triazole is sourced from PubChem (CID 130273558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).