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

C11H20N4O — CID 103882321

IUPAC1-[[(1-methyl-1,2,4-triazol-3-yl)methylamino]methyl]cyclohexan-1-ol
SMILESCn1cnc(CNCC2(O)CCCCC2)n1
InChIInChI=1S/C11H20N4O/c1-15-9-13-10(14-15)7-12-8-11(16)5-3-2-4-6-11/h9,12,16H,2-8H2,1H3
InChIKeyYUAWZZZILDHDBU-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.60
Rot. Bonds4

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

1-[[(1-methyl-1,2,4-triazol-3-yl)methylamino]methyl]cyclohexan-1-ol (PubChem CID 103882321) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 1-[[(1-methyl-1,2,4-triazol-3-yl)methylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[(1-methyl-1,2,4-triazol-3-yl)methylamino]methyl]cyclohexan-1-ol
PubChem CID103882321
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name1-[[(1-methyl-1,2,4-triazol-3-yl)methylamino]methyl]cyclohexan-1-ol
SMILESCn1cnc(CNCC2(O)CCCCC2)n1
InChIInChI=1S/C11H20N4O/c1-15-9-13-10(14-15)7-12-8-11(16)5-3-2-4-6-11/h9,12,16H,2-8H2,1H3
InChIKeyYUAWZZZILDHDBU-UHFFFAOYSA-N
XLogP0.60
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(pyrimidin-2-ylmethylamino)methyl]cycloheptan-1-ol
CID 65123258
1-[[(2-methyltetrazol-5-yl)methylamino]methyl]cyclopentan-1-ol
CID 107042475
1-[[(5-chloro-1-methylimidazol-2-yl)methylamino]methyl]cycloheptan-1-ol
CID 65122472
1-[[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]methyl]cycloheptan-1-ol
CID 111425320
1-[[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]cycloheptan-1-ol
CID 55202674
1-[[(5-methylpyrazin-2-yl)methylamino]methyl]cyclopentan-1-ol
CID 65210694
1-[2-[(1-methyl-1,2,4-triazol-3-yl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 103882141
2-[[(1-methyl-1,2,4-triazol-3-yl)methylamino]methyl]phenol
CID 103884596
1-[[(1-methylpyrazol-3-yl)amino]methyl]cycloheptan-1-ol
CID 79778673
1-[[(3-propan-2-ylimidazol-4-yl)methylamino]methyl]cyclopentan-1-ol
CID 66164576
1-[[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]methyl]cyclohexan-1-ol
CID 111104684
1-[(benzylamino)methyl]cycloheptan-1-ol
CID 60710694

Frequently Asked Questions

What is the IUPAC name of 1-[[(1-methyl-1,2,4-triazol-3-yl)methylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[(1-methyl-1,2,4-triazol-3-yl)methylamino]methyl]cyclohexan-1-ol (CID 103882321) is 1-[[(1-methyl-1,2,4-triazol-3-yl)methylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[(1-methyl-1,2,4-triazol-3-yl)methylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[(1-methyl-1,2,4-triazol-3-yl)methylamino]methyl]cyclohexan-1-ol is Cn1cnc(CNCC2(O)CCCCC2)n1.
What is the InChIKey of 1-[[(1-methyl-1,2,4-triazol-3-yl)methylamino]methyl]cyclohexan-1-ol?
The InChIKey is YUAWZZZILDHDBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-15-9-13-10(14-15)7-12-8-11(16)5-3-2-4-6-11/h9,12,16H,2-8H2,1H3.
What are the key properties of 1-[[(1-methyl-1,2,4-triazol-3-yl)methylamino]methyl]cyclohexan-1-ol?
1-[[(1-methyl-1,2,4-triazol-3-yl)methylamino]methyl]cyclohexan-1-ol has a molecular weight of 224.31 g/mol, XLogP of 0.60, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1-methyl-1,2,4-triazol-3-yl)methylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 103882321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).