[2-chloro-6-(tetrazolo[1,5-a]pyrazin-5-yloxy)phenyl]methanamine

C11H9ClN6O — CID 114323862

IUPAC[2-chloro-6-(tetrazolo[1,5-a]pyrazin-5-yloxy)phenyl]methanamine
SMILESNCc1c(Cl)cccc1Oc1cncc2nnnn12
InChIInChI=1S/C11H9ClN6O/c12-8-2-1-3-9(7(8)4-13)19-11-6-14-5-10-15-16-17-18(10)11/h1-3,5-6H,4,13H2
InChIKeyKKLVSWDGYWPVOX-UHFFFAOYSA-N
MW276.69 g/mol
LogP1.42
Rot. Bonds3

About [2-chloro-6-(tetrazolo[1,5-a]pyrazin-5-yloxy)phenyl]methanamine

[2-chloro-6-(tetrazolo[1,5-a]pyrazin-5-yloxy)phenyl]methanamine (PubChem CID 114323862) has the molecular formula C11H9ClN6O and a molecular weight of 276.69 g/mol. Its IUPAC name is [2-chloro-6-(tetrazolo[1,5-a]pyrazin-5-yloxy)phenyl]methanamine.

Molecular Properties

Compound Name[2-chloro-6-(tetrazolo[1,5-a]pyrazin-5-yloxy)phenyl]methanamine
PubChem CID114323862
Molecular FormulaC11H9ClN6O
Molecular Weight276.69 g/mol
Exact Mass276.05
IUPAC Name[2-chloro-6-(tetrazolo[1,5-a]pyrazin-5-yloxy)phenyl]methanamine
SMILESNCc1c(Cl)cccc1Oc1cncc2nnnn12
InChIInChI=1S/C11H9ClN6O/c12-8-2-1-3-9(7(8)4-13)19-11-6-14-5-10-15-16-17-18(10)11/h1-3,5-6H,4,13H2
InChIKeyKKLVSWDGYWPVOX-UHFFFAOYSA-N
XLogP1.42
TPSA91.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.69
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-amino-3-(tetrazolo[1,5-a]pyrazin-5-yloxy)phenol
CID 137013323
[2-chloro-6-(2-chlorophenoxy)phenyl]methanamine
CID 28966120
(2-chloro-6-phenoxyphenyl)methanamine
CID 2777206
5-fluoro-2-methyl-4-(tetrazolo[1,5-a]pyrazin-5-yloxy)aniline
CID 114417709
[2-chloro-6-(3,4-dichlorophenoxy)phenyl]methanamine
CID 63458744
[2-chloro-6-[(3-methylimidazol-4-yl)methoxy]phenyl]methanamine
CID 114318408
[2-chloro-6-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]phenyl]methanamine
CID 114323804
[2-chloro-6-(2,4-dichlorophenoxy)phenyl]methanamine
CID 28966226
[2-chloro-6-(1-methylimidazol-2-yl)oxyphenyl]methanamine
CID 114323851
[2-chloro-6-(2-chloroprop-2-enoxy)phenyl]methanamine
CID 114318588
[2-chloro-6-[(E)-3-chloroprop-2-enoxy]phenyl]methanamine
CID 114318333
[2-(4-bromo-2-chlorophenoxy)-6-chlorophenyl]methanamine
CID 28966393

Frequently Asked Questions

What is the IUPAC name of [2-chloro-6-(tetrazolo[1,5-a]pyrazin-5-yloxy)phenyl]methanamine?
The IUPAC name of [2-chloro-6-(tetrazolo[1,5-a]pyrazin-5-yloxy)phenyl]methanamine (CID 114323862) is [2-chloro-6-(tetrazolo[1,5-a]pyrazin-5-yloxy)phenyl]methanamine.
What is the SMILES notation for [2-chloro-6-(tetrazolo[1,5-a]pyrazin-5-yloxy)phenyl]methanamine?
The canonical SMILES for [2-chloro-6-(tetrazolo[1,5-a]pyrazin-5-yloxy)phenyl]methanamine is NCc1c(Cl)cccc1Oc1cncc2nnnn12.
What is the InChIKey of [2-chloro-6-(tetrazolo[1,5-a]pyrazin-5-yloxy)phenyl]methanamine?
The InChIKey is KKLVSWDGYWPVOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN6O/c12-8-2-1-3-9(7(8)4-13)19-11-6-14-5-10-15-16-17-18(10)11/h1-3,5-6H,4,13H2.
What are the key properties of [2-chloro-6-(tetrazolo[1,5-a]pyrazin-5-yloxy)phenyl]methanamine?
[2-chloro-6-(tetrazolo[1,5-a]pyrazin-5-yloxy)phenyl]methanamine has a molecular weight of 276.69 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-6-(tetrazolo[1,5-a]pyrazin-5-yloxy)phenyl]methanamine is sourced from PubChem (CID 114323862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).