2-(1,2,4-benzotriazin-3-yloxy)-N-methylcyclohexan-1-amine

C14H18N4O — CID 103205004

IUPAC2-(1,2,4-benzotriazin-3-yloxy)-N-methylcyclohexan-1-amine
SMILESCNC1CCCCC1Oc1nnc2ccccc2n1
InChIInChI=1S/C14H18N4O/c1-15-12-8-4-5-9-13(12)19-14-16-10-6-2-3-7-11(10)17-18-14/h2-3,6-7,12-13,15H,4-5,8-9H2,1H3
InChIKeyOQGQMQQVSVVGBN-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.93
Rot. Bonds3

About 2-(1,2,4-benzotriazin-3-yloxy)-N-methylcyclohexan-1-amine

2-(1,2,4-benzotriazin-3-yloxy)-N-methylcyclohexan-1-amine (PubChem CID 103205004) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-(1,2,4-benzotriazin-3-yloxy)-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(1,2,4-benzotriazin-3-yloxy)-N-methylcyclohexan-1-amine
PubChem CID103205004
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name2-(1,2,4-benzotriazin-3-yloxy)-N-methylcyclohexan-1-amine
SMILESCNC1CCCCC1Oc1nnc2ccccc2n1
InChIInChI=1S/C14H18N4O/c1-15-12-8-4-5-9-13(12)19-14-16-10-6-2-3-7-11(10)17-18-14/h2-3,6-7,12-13,15H,4-5,8-9H2,1H3
InChIKeyOQGQMQQVSVVGBN-UHFFFAOYSA-N
XLogP1.93
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1H-benzimidazol-2-yloxy)-N-methylcyclohexan-1-amine
CID 102634417
N-methyl-2-phthalazin-1-yloxycyclohexan-1-amine
CID 102634790
2-[(6-methoxy-2-pyridinyl)oxy]-N-methylcyclohexan-1-amine
CID 102634392
N-methyl-2-quinolin-7-yloxycycloheptan-1-amine
CID 107313438
3-(azetidin-3-yloxy)-1,2,4-benzotriazine
CID 103204985
trans-(1R,2R)-N-methyl-2-(4-methylphenoxy)cyclohexan-1-amine;hydrochloride
CID 24837203
N-methyl-2-(2-nitrophenoxy)cyclohexan-1-amine
CID 102634561
2-[(4-bromo-1,3-thiazol-2-yl)oxy]-N-methylcyclohexan-1-amine
CID 102634612
2-(2,3-dimethylphenoxy)-N-methylcyclooctan-1-amine
CID 63474157
2-[2-fluoro-4-(trifluoromethyl)phenoxy]-N-methylcyclohexan-1-amine
CID 107304027
N-(2-ethylcyclohexyl)-1,2,4-benzotriazin-3-amine
CID 103204177
4-[2-(methylamino)cyclohexyl]oxybenzonitrile
CID 102634794

Frequently Asked Questions

What is the IUPAC name of 2-(1,2,4-benzotriazin-3-yloxy)-N-methylcyclohexan-1-amine?
The IUPAC name of 2-(1,2,4-benzotriazin-3-yloxy)-N-methylcyclohexan-1-amine (CID 103205004) is 2-(1,2,4-benzotriazin-3-yloxy)-N-methylcyclohexan-1-amine.
What is the SMILES notation for 2-(1,2,4-benzotriazin-3-yloxy)-N-methylcyclohexan-1-amine?
The canonical SMILES for 2-(1,2,4-benzotriazin-3-yloxy)-N-methylcyclohexan-1-amine is CNC1CCCCC1Oc1nnc2ccccc2n1.
What is the InChIKey of 2-(1,2,4-benzotriazin-3-yloxy)-N-methylcyclohexan-1-amine?
The InChIKey is OQGQMQQVSVVGBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-15-12-8-4-5-9-13(12)19-14-16-10-6-2-3-7-11(10)17-18-14/h2-3,6-7,12-13,15H,4-5,8-9H2,1H3.
What are the key properties of 2-(1,2,4-benzotriazin-3-yloxy)-N-methylcyclohexan-1-amine?
2-(1,2,4-benzotriazin-3-yloxy)-N-methylcyclohexan-1-amine has a molecular weight of 258.32 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,4-benzotriazin-3-yloxy)-N-methylcyclohexan-1-amine is sourced from PubChem (CID 103205004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).