1-cyclohexyloxy-3-[(4-methyl-1,2,4-triazol-3-yl)methylamino]propan-2-ol

C13H24N4O2 — CID 62119183

IUPAC1-cyclohexyloxy-3-[(4-methyl-1,2,4-triazol-3-yl)methylamino]propan-2-ol
SMILESCn1cnnc1CNCC(O)COC1CCCCC1
InChIInChI=1S/C13H24N4O2/c1-17-10-15-16-13(17)8-14-7-11(18)9-19-12-5-3-2-4-6-12/h10-12,14,18H,2-9H2,1H3
InChIKeyMDFJPMIYSGOJGP-UHFFFAOYSA-N
MW268.36 g/mol
LogP0.61
Rot. Bonds7

About 1-cyclohexyloxy-3-[(4-methyl-1,2,4-triazol-3-yl)methylamino]propan-2-ol

1-cyclohexyloxy-3-[(4-methyl-1,2,4-triazol-3-yl)methylamino]propan-2-ol (PubChem CID 62119183) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-cyclohexyloxy-3-[(4-methyl-1,2,4-triazol-3-yl)methylamino]propan-2-ol.

Molecular Properties

Compound Name1-cyclohexyloxy-3-[(4-methyl-1,2,4-triazol-3-yl)methylamino]propan-2-ol
PubChem CID62119183
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC Name1-cyclohexyloxy-3-[(4-methyl-1,2,4-triazol-3-yl)methylamino]propan-2-ol
SMILESCn1cnnc1CNCC(O)COC1CCCCC1
InChIInChI=1S/C13H24N4O2/c1-17-10-15-16-13(17)8-14-7-11(18)9-19-12-5-3-2-4-6-12/h10-12,14,18H,2-9H2,1H3
InChIKeyMDFJPMIYSGOJGP-UHFFFAOYSA-N
XLogP0.61
TPSA72.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-cyclopentyloxy-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propan-2-ol
CID 78989836
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclohexanamine
CID 60762129
1-cyclopentyloxy-3-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]propan-2-ol
CID 115989616
1-(4-ethylphenoxy)-3-[(4-methyl-1,2,4-triazol-3-yl)methylamino]propan-2-ol
CID 62117512
2-cycloheptyloxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]propanamide
CID 71970064
2-[[(3-cyclohexyloxy-2-hydroxypropyl)amino]methyl]phenol
CID 114331934
2,2-dimethoxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 63697959
1-cyclopentyloxy-3-[(2-methyl-1,3-thiazol-4-yl)methylamino]propan-2-ol
CID 61280895
1-methoxy-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propan-2-ol
CID 63930079
1-cyclohexyloxy-3-(2-piperidin-1-ylethylamino)propan-2-ol
CID 60969149
1-cyclopentyloxy-3-(2-phenylpropylamino)propan-2-ol
CID 104591392
1-cyclopentyloxy-3-[(3-methylphenyl)methylamino]propan-2-ol
CID 60729329

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyloxy-3-[(4-methyl-1,2,4-triazol-3-yl)methylamino]propan-2-ol?
The IUPAC name of 1-cyclohexyloxy-3-[(4-methyl-1,2,4-triazol-3-yl)methylamino]propan-2-ol (CID 62119183) is 1-cyclohexyloxy-3-[(4-methyl-1,2,4-triazol-3-yl)methylamino]propan-2-ol.
What is the SMILES notation for 1-cyclohexyloxy-3-[(4-methyl-1,2,4-triazol-3-yl)methylamino]propan-2-ol?
The canonical SMILES for 1-cyclohexyloxy-3-[(4-methyl-1,2,4-triazol-3-yl)methylamino]propan-2-ol is Cn1cnnc1CNCC(O)COC1CCCCC1.
What is the InChIKey of 1-cyclohexyloxy-3-[(4-methyl-1,2,4-triazol-3-yl)methylamino]propan-2-ol?
The InChIKey is MDFJPMIYSGOJGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-17-10-15-16-13(17)8-14-7-11(18)9-19-12-5-3-2-4-6-12/h10-12,14,18H,2-9H2,1H3.
What are the key properties of 1-cyclohexyloxy-3-[(4-methyl-1,2,4-triazol-3-yl)methylamino]propan-2-ol?
1-cyclohexyloxy-3-[(4-methyl-1,2,4-triazol-3-yl)methylamino]propan-2-ol has a molecular weight of 268.36 g/mol, XLogP of 0.61, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyloxy-3-[(4-methyl-1,2,4-triazol-3-yl)methylamino]propan-2-ol is sourced from PubChem (CID 62119183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).