4-methoxy-2-(tetrazolo[1,5-a]pyrazin-5-yloxy)aniline

C11H10N6O2 — CID 102703041

IUPAC4-methoxy-2-(tetrazolo[1,5-a]pyrazin-5-yloxy)aniline
SMILESCOc1ccc(N)c(Oc2cncc3nnnn23)c1
InChIInChI=1S/C11H10N6O2/c1-18-7-2-3-8(12)9(4-7)19-11-6-13-5-10-14-15-16-17(10)11/h2-6H,12H2,1H3
InChIKeyLBHMUYPVEORQGO-UHFFFAOYSA-N
MW258.24 g/mol
LogP0.90
Rot. Bonds3

About 4-methoxy-2-(tetrazolo[1,5-a]pyrazin-5-yloxy)aniline

4-methoxy-2-(tetrazolo[1,5-a]pyrazin-5-yloxy)aniline (PubChem CID 102703041) has the molecular formula C11H10N6O2 and a molecular weight of 258.24 g/mol. Its IUPAC name is 4-methoxy-2-(tetrazolo[1,5-a]pyrazin-5-yloxy)aniline.

Molecular Properties

Compound Name4-methoxy-2-(tetrazolo[1,5-a]pyrazin-5-yloxy)aniline
PubChem CID102703041
Molecular FormulaC11H10N6O2
Molecular Weight258.24 g/mol
Exact Mass258.09
IUPAC Name4-methoxy-2-(tetrazolo[1,5-a]pyrazin-5-yloxy)aniline
SMILESCOc1ccc(N)c(Oc2cncc3nnnn23)c1
InChIInChI=1S/C11H10N6O2/c1-18-7-2-3-8(12)9(4-7)19-11-6-13-5-10-14-15-16-17(10)11/h2-6H,12H2,1H3
InChIKeyLBHMUYPVEORQGO-UHFFFAOYSA-N
XLogP0.90
TPSA100.45 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.24
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4,5-dichloro-2-(tetrazolo[1,5-a]pyrazin-5-yloxy)aniline
CID 107501213
2-(3,4-dimethoxyphenoxy)-4-methoxyaniline
CID 123638335
2-(5-bromopyrimidin-4-yl)oxy-4-methoxyaniline
CID 102703005
6-(2-amino-5-methoxyphenoxy)pyridazine-3-carboxamide
CID 102702984
4-methoxy-2-trimethylsilyloxyaniline
CID 167737964
3-(2-amino-5-methoxyphenoxy)pyridazine-4-carbonitrile
CID 102702927
4-methoxy-2-[(5-methyl-1H-pyrazol-3-yl)oxy]aniline
CID 81342391
4-[(5-chloro-3-pyridinyl)oxy]-2-methoxyaniline
CID 64602118
4-methoxy-2-[(4-methyl-1,3-thiazol-2-yl)oxy]aniline
CID 102703002
2-(5-bromo-2-methylphenoxy)-4-methoxyaniline
CID 107283339
2-(4-bromo-3-methylphenoxy)-4-methoxyaniline
CID 83133415
4-(4-hydroxypyrazolo[4,3-d]pyrimidin-3-yl)oxy-2-methoxyaniline
CID 141350603

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(tetrazolo[1,5-a]pyrazin-5-yloxy)aniline?
The IUPAC name of 4-methoxy-2-(tetrazolo[1,5-a]pyrazin-5-yloxy)aniline (CID 102703041) is 4-methoxy-2-(tetrazolo[1,5-a]pyrazin-5-yloxy)aniline.
What is the SMILES notation for 4-methoxy-2-(tetrazolo[1,5-a]pyrazin-5-yloxy)aniline?
The canonical SMILES for 4-methoxy-2-(tetrazolo[1,5-a]pyrazin-5-yloxy)aniline is COc1ccc(N)c(Oc2cncc3nnnn23)c1.
What is the InChIKey of 4-methoxy-2-(tetrazolo[1,5-a]pyrazin-5-yloxy)aniline?
The InChIKey is LBHMUYPVEORQGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N6O2/c1-18-7-2-3-8(12)9(4-7)19-11-6-13-5-10-14-15-16-17(10)11/h2-6H,12H2,1H3.
What are the key properties of 4-methoxy-2-(tetrazolo[1,5-a]pyrazin-5-yloxy)aniline?
4-methoxy-2-(tetrazolo[1,5-a]pyrazin-5-yloxy)aniline has a molecular weight of 258.24 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(tetrazolo[1,5-a]pyrazin-5-yloxy)aniline is sourced from PubChem (CID 102703041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).