2-methoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexan-1-amine

C12H22N4O — CID 55202285

IUPAC2-methoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexan-1-amine
SMILESCOC1CCCCC1NCCc1nncn1C
InChIInChI=1S/C12H22N4O/c1-16-9-14-15-12(16)7-8-13-10-5-3-4-6-11(10)17-2/h9-11,13H,3-8H2,1-2H3
InChIKeyNODJUPSSFDFWAN-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.90
Rot. Bonds5

About 2-methoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexan-1-amine

2-methoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexan-1-amine (PubChem CID 55202285) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-methoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-methoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexan-1-amine
PubChem CID55202285
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name2-methoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexan-1-amine
SMILESCOC1CCCCC1NCCc1nncn1C
InChIInChI=1S/C12H22N4O/c1-16-9-14-15-12(16)7-8-13-10-5-3-4-6-11(10)17-2/h9-11,13H,3-8H2,1-2H3
InChIKeyNODJUPSSFDFWAN-UHFFFAOYSA-N
XLogP0.90
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-1-morpholin-4-ylpropan-2-amine
CID 50953849
4-[3-(2-methoxyethyl)-4H-1,2,4-triazol-4-yl]piperidine
CID 83284481
4-[3-(methoxymethyl)-4H-1,2,4-triazol-4-yl]piperidine
CID 83284476
3-[(2S,4R)-4-Methoxypyrrolidin-2-yl]-4-methyl-4H-1,2,4-triazole
CID 94552503
N-{1-[4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]ethyl}cyclopentanamine
CID 50981187
4-[4-(2-Methoxyethyl)-1,2,4-triazol-3-yl]cyclohexan-1-amine
CID 62711583
3-(4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl)cyclohexanamine
CID 63044428
2-methoxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexan-1-amine
CID 43783926
2-methoxy-N-[1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]cyclohexan-1-amine
CID 43791293
N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2-methoxycyclohexan-1-amine
CID 43791517
4-Cyclohexyl-3-(4-methoxypyrrolidin-2-yl)-1,2,4-triazole
CID 55107402
(3,3-dimethylcyclohexyl){2-[4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]ethyl}amine
CID 56711389

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexan-1-amine?
The IUPAC name of 2-methoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexan-1-amine (CID 55202285) is 2-methoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 2-methoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexan-1-amine?
The canonical SMILES for 2-methoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexan-1-amine is COC1CCCCC1NCCc1nncn1C.
What is the InChIKey of 2-methoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexan-1-amine?
The InChIKey is NODJUPSSFDFWAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-16-9-14-15-12(16)7-8-13-10-5-3-4-6-11(10)17-2/h9-11,13H,3-8H2,1-2H3.
What are the key properties of 2-methoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexan-1-amine?
2-methoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexan-1-amine has a molecular weight of 238.33 g/mol, XLogP of 0.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 55202285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).