4-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-2,1,3-benzoxadiazole-4,7-diamine

C16H16N4O — CID 62303915

IUPAC4-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-2,1,3-benzoxadiazole-4,7-diamine
SMILESNc1ccc(NC2CCc3ccccc3C2)c2nonc12
InChIInChI=1S/C16H16N4O/c17-13-7-8-14(16-15(13)19-21-20-16)18-12-6-5-10-3-1-2-4-11(10)9-12/h1-4,7-8,12,18H,5-6,9,17H2
InChIKeyXJKPVFIJBGBCTK-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.77
Rot. Bonds2

About 4-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-2,1,3-benzoxadiazole-4,7-diamine

4-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-2,1,3-benzoxadiazole-4,7-diamine (PubChem CID 62303915) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 4-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-2,1,3-benzoxadiazole-4,7-diamine.

Molecular Properties

Compound Name4-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-2,1,3-benzoxadiazole-4,7-diamine
PubChem CID62303915
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name4-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-2,1,3-benzoxadiazole-4,7-diamine
SMILESNc1ccc(NC2CCc3ccccc3C2)c2nonc12
InChIInChI=1S/C16H16N4O/c17-13-7-8-14(16-15(13)19-21-20-16)18-12-6-5-10-3-1-2-4-11(10)9-12/h1-4,7-8,12,18H,5-6,9,17H2
InChIKeyXJKPVFIJBGBCTK-UHFFFAOYSA-N
XLogP2.77
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzene-1,2-diamine
CID 115468885
6-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyridine-2,3,6-triamine
CID 79825418
5-N-(2,3-dihydro-1H-inden-2-yl)quinoline-5,8-diamine
CID 107844436
4-bromo-5-fluoro-2-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzene-1,2-diamine
CID 116735834
2-nitro-3-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzene-1,3-diamine
CID 80797856
4-fluoro-5-methoxy-1-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzene-1,2-diamine
CID 63598199
(2R)-N-(2-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 31196228
2-amino-5-(1,2,3,4-tetrahydronaphthalen-2-ylamino)benzoic acid
CID 62317637
N-(4-fluoro-2-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 43764909
2-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazine-2,6-diamine
CID 78988868
3-bromo-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyridin-4-amine
CID 104777001
2,1,3-benzoxadiazole-4,7-diamine
CID 591590

Frequently Asked Questions

What is the IUPAC name of 4-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-2,1,3-benzoxadiazole-4,7-diamine?
The IUPAC name of 4-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-2,1,3-benzoxadiazole-4,7-diamine (CID 62303915) is 4-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-2,1,3-benzoxadiazole-4,7-diamine.
What is the SMILES notation for 4-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-2,1,3-benzoxadiazole-4,7-diamine?
The canonical SMILES for 4-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-2,1,3-benzoxadiazole-4,7-diamine is Nc1ccc(NC2CCc3ccccc3C2)c2nonc12.
What is the InChIKey of 4-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-2,1,3-benzoxadiazole-4,7-diamine?
The InChIKey is XJKPVFIJBGBCTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c17-13-7-8-14(16-15(13)19-21-20-16)18-12-6-5-10-3-1-2-4-11(10)9-12/h1-4,7-8,12,18H,5-6,9,17H2.
What are the key properties of 4-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-2,1,3-benzoxadiazole-4,7-diamine?
4-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-2,1,3-benzoxadiazole-4,7-diamine has a molecular weight of 280.33 g/mol, XLogP of 2.77, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-2,1,3-benzoxadiazole-4,7-diamine is sourced from PubChem (CID 62303915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).