3-[(5,6-dimethyl-1,2,4-triazin-3-yl)oxy]cyclohexan-1-amine

C11H18N4O — CID 114787607

IUPAC3-[(5,6-dimethyl-1,2,4-triazin-3-yl)oxy]cyclohexan-1-amine
SMILESCc1nnc(OC2CCCC(N)C2)nc1C
InChIInChI=1S/C11H18N4O/c1-7-8(2)14-15-11(13-7)16-10-5-3-4-9(12)6-10/h9-10H,3-6,12H2,1-2H3
InChIKeyBEEOJNWHRKCQAC-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.14
Rot. Bonds2

About 3-[(5,6-dimethyl-1,2,4-triazin-3-yl)oxy]cyclohexan-1-amine

3-[(5,6-dimethyl-1,2,4-triazin-3-yl)oxy]cyclohexan-1-amine (PubChem CID 114787607) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 3-[(5,6-dimethyl-1,2,4-triazin-3-yl)oxy]cyclohexan-1-amine.

Molecular Properties

Compound Name3-[(5,6-dimethyl-1,2,4-triazin-3-yl)oxy]cyclohexan-1-amine
PubChem CID114787607
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name3-[(5,6-dimethyl-1,2,4-triazin-3-yl)oxy]cyclohexan-1-amine
SMILESCc1nnc(OC2CCCC(N)C2)nc1C
InChIInChI=1S/C11H18N4O/c1-7-8(2)14-15-11(13-7)16-10-5-3-4-9(12)6-10/h9-10H,3-6,12H2,1-2H3
InChIKeyBEEOJNWHRKCQAC-UHFFFAOYSA-N
XLogP1.14
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(5,6-dimethyl-1,2,4-triazin-3-yl)oxy]cyclobutan-1-amine
CID 114787601
3-(5,6-dimethylpyrazin-2-yl)oxycyclohexan-1-amine
CID 114477112
1-[3-[(5,6-dimethyl-1,2,4-triazin-3-yl)oxy]cyclobutyl]-N-methylmethanamine
CID 114787603
3-(2,6-dimethylpyrimidin-4-yl)oxycyclohexan-1-amine
CID 79465433
3-(4,6-dimethylpyrimidin-2-yl)oxycyclopentan-1-amine
CID 79466039
2-cyclohexyloxy-4,5,6-trimethylpyrimidine
CID 177057450
5-(3-aminocyclohexyl)oxy-1,3-dimethylpyrazole-4-carboxamide
CID 79465112
3-(6-methoxypyrazin-2-yl)oxycyclohexan-1-amine
CID 79465847
3-[(5-methyl-2-pyridinyl)oxy]cyclohexan-1-amine
CID 79465425
cis-(1S,3R)-3-methoxycyclohexan-1-amine
CID 51381085
3-(3-methylquinolin-2-yl)oxycyclohexan-1-amine
CID 79465009
3-(1,3-thiazol-2-yloxy)cyclohexan-1-amine
CID 79464803

Frequently Asked Questions

What is the IUPAC name of 3-[(5,6-dimethyl-1,2,4-triazin-3-yl)oxy]cyclohexan-1-amine?
The IUPAC name of 3-[(5,6-dimethyl-1,2,4-triazin-3-yl)oxy]cyclohexan-1-amine (CID 114787607) is 3-[(5,6-dimethyl-1,2,4-triazin-3-yl)oxy]cyclohexan-1-amine.
What is the SMILES notation for 3-[(5,6-dimethyl-1,2,4-triazin-3-yl)oxy]cyclohexan-1-amine?
The canonical SMILES for 3-[(5,6-dimethyl-1,2,4-triazin-3-yl)oxy]cyclohexan-1-amine is Cc1nnc(OC2CCCC(N)C2)nc1C.
What is the InChIKey of 3-[(5,6-dimethyl-1,2,4-triazin-3-yl)oxy]cyclohexan-1-amine?
The InChIKey is BEEOJNWHRKCQAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-7-8(2)14-15-11(13-7)16-10-5-3-4-9(12)6-10/h9-10H,3-6,12H2,1-2H3.
What are the key properties of 3-[(5,6-dimethyl-1,2,4-triazin-3-yl)oxy]cyclohexan-1-amine?
3-[(5,6-dimethyl-1,2,4-triazin-3-yl)oxy]cyclohexan-1-amine has a molecular weight of 222.29 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5,6-dimethyl-1,2,4-triazin-3-yl)oxy]cyclohexan-1-amine is sourced from PubChem (CID 114787607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).