[1-[[(3-methyltriazol-4-yl)methylamino]methyl]cyclohexyl]methanol

C12H22N4O — CID 115683848

IUPAC[1-[[(3-methyltriazol-4-yl)methylamino]methyl]cyclohexyl]methanol
SMILESCn1nncc1CNCC1(CO)CCCCC1
InChIInChI=1S/C12H22N4O/c1-16-11(8-14-15-16)7-13-9-12(10-17)5-3-2-4-6-12/h8,13,17H,2-7,9-10H2,1H3
InChIKeySHXVIAFLBBRMGC-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.85
Rot. Bonds5

About [1-[[(3-methyltriazol-4-yl)methylamino]methyl]cyclohexyl]methanol

[1-[[(3-methyltriazol-4-yl)methylamino]methyl]cyclohexyl]methanol (PubChem CID 115683848) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is [1-[[(3-methyltriazol-4-yl)methylamino]methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[[(3-methyltriazol-4-yl)methylamino]methyl]cyclohexyl]methanol
PubChem CID115683848
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name[1-[[(3-methyltriazol-4-yl)methylamino]methyl]cyclohexyl]methanol
SMILESCn1nncc1CNCC1(CO)CCCCC1
InChIInChI=1S/C12H22N4O/c1-16-11(8-14-15-16)7-13-9-12(10-17)5-3-2-4-6-12/h8,13,17H,2-7,9-10H2,1H3
InChIKeySHXVIAFLBBRMGC-UHFFFAOYSA-N
XLogP0.85
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-methylcyclohexyl)methyl]-1-(3-methyltriazol-4-yl)methanamine
CID 103753099
N,N-dimethyl-1-[[(3-methyltriazol-4-yl)methylamino]methyl]cyclopentan-1-amine
CID 115682190
[1-[[(3-ethylimidazol-4-yl)methylamino]methyl]cyclohexyl]methanol
CID 103965802
6-[[[1-(hydroxymethyl)cyclohexyl]methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 103966313
[1-[[(2-methyl-1H-imidazol-5-yl)methylamino]methyl]cyclohexyl]methanol
CID 112697644
[1-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]cyclopentyl]methanol
CID 115358694
[3-methyl-1-[(3-methyltriazol-4-yl)methylamino]cyclohexyl]methanol
CID 113483028
[1-[[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylamino]methyl]cyclopentyl]methanol
CID 115358637
N-[(3-methyltriazol-4-yl)methyl]-1-phenylmethanamine
CID 115682087
[1-[[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]methyl]cyclopentyl]methanol
CID 115358358
[1-[[(3-ethyl-1-methylpyrazol-4-yl)methylamino]methyl]cyclopentyl]methanol
CID 112669129
[1-[[(1-propylpyrrol-3-yl)methylamino]methyl]cyclohexyl]methanol
CID 103965890

Frequently Asked Questions

What is the IUPAC name of [1-[[(3-methyltriazol-4-yl)methylamino]methyl]cyclohexyl]methanol?
The IUPAC name of [1-[[(3-methyltriazol-4-yl)methylamino]methyl]cyclohexyl]methanol (CID 115683848) is [1-[[(3-methyltriazol-4-yl)methylamino]methyl]cyclohexyl]methanol.
What is the SMILES notation for [1-[[(3-methyltriazol-4-yl)methylamino]methyl]cyclohexyl]methanol?
The canonical SMILES for [1-[[(3-methyltriazol-4-yl)methylamino]methyl]cyclohexyl]methanol is Cn1nncc1CNCC1(CO)CCCCC1.
What is the InChIKey of [1-[[(3-methyltriazol-4-yl)methylamino]methyl]cyclohexyl]methanol?
The InChIKey is SHXVIAFLBBRMGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-16-11(8-14-15-16)7-13-9-12(10-17)5-3-2-4-6-12/h8,13,17H,2-7,9-10H2,1H3.
What are the key properties of [1-[[(3-methyltriazol-4-yl)methylamino]methyl]cyclohexyl]methanol?
[1-[[(3-methyltriazol-4-yl)methylamino]methyl]cyclohexyl]methanol has a molecular weight of 238.33 g/mol, XLogP of 0.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[(3-methyltriazol-4-yl)methylamino]methyl]cyclohexyl]methanol is sourced from PubChem (CID 115683848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).