[4-chloro-2-[(5,6-diethyl-1,2,4-triazin-3-yl)oxy]phenyl]methanamine

C14H17ClN4O — CID 105363242

IUPAC[4-chloro-2-[(5,6-diethyl-1,2,4-triazin-3-yl)oxy]phenyl]methanamine
SMILESCCc1nnc(Oc2cc(Cl)ccc2CN)nc1CC
InChIInChI=1S/C14H17ClN4O/c1-3-11-12(4-2)18-19-14(17-11)20-13-7-10(15)6-5-9(13)8-16/h5-7H,3-4,8,16H2,1-2H3
InChIKeyCCJJPKROIKBTLX-UHFFFAOYSA-N
MW292.77 g/mol
LogP2.90
Rot. Bonds5

About [4-chloro-2-[(5,6-diethyl-1,2,4-triazin-3-yl)oxy]phenyl]methanamine

[4-chloro-2-[(5,6-diethyl-1,2,4-triazin-3-yl)oxy]phenyl]methanamine (PubChem CID 105363242) has the molecular formula C14H17ClN4O and a molecular weight of 292.77 g/mol. Its IUPAC name is [4-chloro-2-[(5,6-diethyl-1,2,4-triazin-3-yl)oxy]phenyl]methanamine.

Molecular Properties

Compound Name[4-chloro-2-[(5,6-diethyl-1,2,4-triazin-3-yl)oxy]phenyl]methanamine
PubChem CID105363242
Molecular FormulaC14H17ClN4O
Molecular Weight292.77 g/mol
Exact Mass292.11
IUPAC Name[4-chloro-2-[(5,6-diethyl-1,2,4-triazin-3-yl)oxy]phenyl]methanamine
SMILESCCc1nnc(Oc2cc(Cl)ccc2CN)nc1CC
InChIInChI=1S/C14H17ClN4O/c1-3-11-12(4-2)18-19-14(17-11)20-13-7-10(15)6-5-9(13)8-16/h5-7H,3-4,8,16H2,1-2H3
InChIKeyCCJJPKROIKBTLX-UHFFFAOYSA-N
XLogP2.90
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-2-[(5,6-diethyl-1,2,4-triazin-3-yl)oxy]benzoic acid
CID 105363210
3-chloro-4-[(5,6-diethyl-1,2,4-triazin-3-yl)oxy]aniline
CID 105362891
[2-(5-bromo-4-methoxypyrimidin-2-yl)oxy-4-chlorophenyl]methanamine
CID 106999554
[4-chloro-2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]methanamine
CID 114323920
[4-chloro-2-(4-ethyl-2-methoxyphenoxy)phenyl]methanamine
CID 107663676
[4-chloro-2-[(3-chloro-2-pyridinyl)oxy]phenyl]methanamine
CID 114323941
[3-(5-chloro-2-methylphenoxy)-5,6-diethylpyridazin-4-yl]methanamine
CID 80508376
[4-chloro-2-[(4-ethylphenyl)methoxy]phenyl]methanamine
CID 114322356
[4-chloro-2-(4-propan-2-ylphenoxy)phenyl]methanamine
CID 63456564
[4-chloro-2-[(3,5-difluoro-2-pyridinyl)oxy]phenyl]methanamine
CID 112676396
3-[5-chloro-2-(chloromethyl)phenoxy]-2-ethyl-6-methylpyridine
CID 103175228
[2-[(3-bromo-5-chloro-2-pyridinyl)oxy]-4-chlorophenyl]methanamine
CID 114838134

Frequently Asked Questions

What is the IUPAC name of [4-chloro-2-[(5,6-diethyl-1,2,4-triazin-3-yl)oxy]phenyl]methanamine?
The IUPAC name of [4-chloro-2-[(5,6-diethyl-1,2,4-triazin-3-yl)oxy]phenyl]methanamine (CID 105363242) is [4-chloro-2-[(5,6-diethyl-1,2,4-triazin-3-yl)oxy]phenyl]methanamine.
What is the SMILES notation for [4-chloro-2-[(5,6-diethyl-1,2,4-triazin-3-yl)oxy]phenyl]methanamine?
The canonical SMILES for [4-chloro-2-[(5,6-diethyl-1,2,4-triazin-3-yl)oxy]phenyl]methanamine is CCc1nnc(Oc2cc(Cl)ccc2CN)nc1CC.
What is the InChIKey of [4-chloro-2-[(5,6-diethyl-1,2,4-triazin-3-yl)oxy]phenyl]methanamine?
The InChIKey is CCJJPKROIKBTLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O/c1-3-11-12(4-2)18-19-14(17-11)20-13-7-10(15)6-5-9(13)8-16/h5-7H,3-4,8,16H2,1-2H3.
What are the key properties of [4-chloro-2-[(5,6-diethyl-1,2,4-triazin-3-yl)oxy]phenyl]methanamine?
[4-chloro-2-[(5,6-diethyl-1,2,4-triazin-3-yl)oxy]phenyl]methanamine has a molecular weight of 292.77 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-2-[(5,6-diethyl-1,2,4-triazin-3-yl)oxy]phenyl]methanamine is sourced from PubChem (CID 105363242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).