2-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)-2-methoxyethanamine

C12H22N4O — CID 106110821

IUPAC2-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)-2-methoxyethanamine
SMILESCOC(CN)c1nnc(C)n1C1CCCCC1
InChIInChI=1S/C12H22N4O/c1-9-14-15-12(11(8-13)17-2)16(9)10-6-4-3-5-7-10/h10-11H,3-8,13H2,1-2H3
InChIKeyDOEXATCTSICZQY-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.74
Rot. Bonds4

About 2-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)-2-methoxyethanamine

2-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)-2-methoxyethanamine (PubChem CID 106110821) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)-2-methoxyethanamine.

Molecular Properties

Compound Name2-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)-2-methoxyethanamine
PubChem CID106110821
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name2-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)-2-methoxyethanamine
SMILESCOC(CN)c1nnc(C)n1C1CCCCC1
InChIInChI=1S/C12H22N4O/c1-9-14-15-12(11(8-13)17-2)16(9)10-6-4-3-5-7-10/h10-11H,3-8,13H2,1-2H3
InChIKeyDOEXATCTSICZQY-UHFFFAOYSA-N
XLogP1.74
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)butan-1-amine
CID 65222073
methyl 2-cyclopentyl-2-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)acetate
CID 115926521
1-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)-3-methoxypropan-1-amine
CID 62478267
4-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)-2-methylbutan-1-amine
CID 82013658
(R)-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)-phenylmethanamine
CID 104899179
4-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)pentan-1-amine
CID 104686988
3-[1-(azetidin-3-yl)ethyl]-4-cyclopentyl-5-methyl-1,2,4-triazole
CID 116684379
[4-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)phenyl]methanamine
CID 61362180
2-methoxy-2-(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
CID 106110929
N-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)methyl]-2-methoxyethanamine
CID 79272218
2-[4-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)phenyl]ethanamine
CID 61363149
1-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)cyclopentan-1-amine
CID 61362583

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)-2-methoxyethanamine?
The IUPAC name of 2-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)-2-methoxyethanamine (CID 106110821) is 2-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)-2-methoxyethanamine.
What is the SMILES notation for 2-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)-2-methoxyethanamine?
The canonical SMILES for 2-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)-2-methoxyethanamine is COC(CN)c1nnc(C)n1C1CCCCC1.
What is the InChIKey of 2-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)-2-methoxyethanamine?
The InChIKey is DOEXATCTSICZQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-9-14-15-12(11(8-13)17-2)16(9)10-6-4-3-5-7-10/h10-11H,3-8,13H2,1-2H3.
What are the key properties of 2-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)-2-methoxyethanamine?
2-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)-2-methoxyethanamine has a molecular weight of 238.33 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)-2-methoxyethanamine is sourced from PubChem (CID 106110821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).