2-[(3-methyltriazol-4-yl)methylamino]cyclohexan-1-ol

C10H18N4O — CID 115682675

IUPAC2-[(3-methyltriazol-4-yl)methylamino]cyclohexan-1-ol
SMILESCn1nncc1CNC1CCCCC1O
InChIInChI=1S/C10H18N4O/c1-14-8(7-12-13-14)6-11-9-4-2-3-5-10(9)15/h7,9-11,15H,2-6H2,1H3
InChIKeyFMPVQTHWGULLIE-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.21
Rot. Bonds3

About 2-[(3-methyltriazol-4-yl)methylamino]cyclohexan-1-ol

2-[(3-methyltriazol-4-yl)methylamino]cyclohexan-1-ol (PubChem CID 115682675) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-[(3-methyltriazol-4-yl)methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[(3-methyltriazol-4-yl)methylamino]cyclohexan-1-ol
PubChem CID115682675
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name2-[(3-methyltriazol-4-yl)methylamino]cyclohexan-1-ol
SMILESCn1nncc1CNC1CCCCC1O
InChIInChI=1S/C10H18N4O/c1-14-8(7-12-13-14)6-11-9-4-2-3-5-10(9)15/h7,9-11,15H,2-6H2,1H3
InChIKeyFMPVQTHWGULLIE-UHFFFAOYSA-N
XLogP0.21
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-methylpyrazol-3-yl)methylamino]cycloheptan-1-ol
CID 63301961
2-[[(3-methyltriazol-4-yl)methylamino]methyl]cyclopentan-1-ol
CID 111862139
3-N-[(3-methyltriazol-4-yl)methyl]cyclopentane-1,3-diamine
CID 130948333
(1R)-1-cyclopentyl-N-[(3-methyltriazol-4-yl)methyl]ethanamine
CID 104865416
tert-butyl 3-[(3-methyltriazol-4-yl)methylamino]azepane-1-carboxylate
CID 103739353
N-[(3-methyltriazol-4-yl)methyl]-1-propylpiperidin-4-amine
CID 115682188
2-(1,3-thiazol-5-ylmethylamino)cyclohexan-1-ol
CID 62758912
2-[(1-methylpyrazol-3-yl)methylamino]cyclohexan-1-ol
CID 78967242
2-(2-methylpyrrolidin-1-yl)-N-[(3-methyltriazol-4-yl)methyl]ethanamine
CID 115682785
2-[(1-ethylpyrrol-2-yl)methylamino]cyclohexan-1-ol
CID 66444409
1-(2-methylcyclopentyl)-N-[(3-methyltriazol-4-yl)methyl]methanamine
CID 107417559
trans-(1R,2R)-2-[2-(2-methylpyrazol-3-yl)ethylamino]cyclohexan-1-ol
CID 103005731

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methyltriazol-4-yl)methylamino]cyclohexan-1-ol?
The IUPAC name of 2-[(3-methyltriazol-4-yl)methylamino]cyclohexan-1-ol (CID 115682675) is 2-[(3-methyltriazol-4-yl)methylamino]cyclohexan-1-ol.
What is the SMILES notation for 2-[(3-methyltriazol-4-yl)methylamino]cyclohexan-1-ol?
The canonical SMILES for 2-[(3-methyltriazol-4-yl)methylamino]cyclohexan-1-ol is Cn1nncc1CNC1CCCCC1O.
What is the InChIKey of 2-[(3-methyltriazol-4-yl)methylamino]cyclohexan-1-ol?
The InChIKey is FMPVQTHWGULLIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-14-8(7-12-13-14)6-11-9-4-2-3-5-10(9)15/h7,9-11,15H,2-6H2,1H3.
What are the key properties of 2-[(3-methyltriazol-4-yl)methylamino]cyclohexan-1-ol?
2-[(3-methyltriazol-4-yl)methylamino]cyclohexan-1-ol has a molecular weight of 210.28 g/mol, XLogP of 0.21, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methyltriazol-4-yl)methylamino]cyclohexan-1-ol is sourced from PubChem (CID 115682675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).