4-methoxy-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine

C11H20N4O — CID 104530567

IUPAC4-methoxy-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine
SMILESCOC1CCC(NCc2n[nH]c(C)n2)CC1
InChIInChI=1S/C11H20N4O/c1-8-13-11(15-14-8)7-12-9-3-5-10(16-2)6-4-9/h9-10,12H,3-7H2,1-2H3,(H,13,14,15)
InChIKeyKWAMGFHNKXVCRM-UHFFFAOYSA-N
MW224.31 g/mol
LogP1.16
Rot. Bonds4

About 4-methoxy-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine

4-methoxy-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine (PubChem CID 104530567) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 4-methoxy-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-methoxy-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine
PubChem CID104530567
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name4-methoxy-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine
SMILESCOC1CCC(NCc2n[nH]c(C)n2)CC1
InChIInChI=1S/C11H20N4O/c1-8-13-11(15-14-8)7-12-9-3-5-10(16-2)6-4-9/h9-10,12H,3-7H2,1-2H3,(H,13,14,15)
InChIKeyKWAMGFHNKXVCRM-UHFFFAOYSA-N
XLogP1.16
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine
CID 115891216
2-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]oxolan-3-amine
CID 115891208
3-ethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine
CID 115685704
3-methyl-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]cyclopentan-1-amine
CID 103991470
3-methoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclopentan-1-amine
CID 103081583
4-[[(4-methoxycyclohexyl)amino]methyl]phenol
CID 104530017
N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1-(oxan-4-yl)ethanamine
CID 115891158
N-[[4-methoxy-3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]methyl]cyclopropanamine
CID 64627134
N-[[3-methyl-4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]phenyl]methyl]cyclopropanamine
CID 55240414
N-[[1,3-dimethyl-5-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrazol-4-yl]methyl]cyclopropanamine
CID 63814528
N-(2,3-dimethoxypropyl)-4-methoxycyclohexan-1-amine
CID 104530610
4-methoxy-N-(2-methoxy-2-methylpropyl)cyclohexan-1-amine
CID 104530318

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine?
The IUPAC name of 4-methoxy-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine (CID 104530567) is 4-methoxy-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 4-methoxy-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for 4-methoxy-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine is COC1CCC(NCc2n[nH]c(C)n2)CC1.
What is the InChIKey of 4-methoxy-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine?
The InChIKey is KWAMGFHNKXVCRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-8-13-11(15-14-8)7-12-9-3-5-10(16-2)6-4-9/h9-10,12H,3-7H2,1-2H3,(H,13,14,15).
What are the key properties of 4-methoxy-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine?
4-methoxy-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine has a molecular weight of 224.31 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 104530567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).