5-[1-[(2-fluorophenyl)methyl]tetrazol-5-yl]benzene-1,3-diamine

C14H13FN6 — CID 61378704

IUPAC5-[1-[(2-fluorophenyl)methyl]tetrazol-5-yl]benzene-1,3-diamine
SMILESNc1cc(N)cc(-c2nnnn2Cc2ccccc2F)c1
InChIInChI=1S/C14H13FN6/c15-13-4-2-1-3-9(13)8-21-14(18-19-20-21)10-5-11(16)7-12(17)6-10/h1-7H,8,16-17H2
InChIKeyADXYJWVRLVGFKP-UHFFFAOYSA-N
MW284.30 g/mol
LogP1.69
Rot. Bonds3

About 5-[1-[(2-fluorophenyl)methyl]tetrazol-5-yl]benzene-1,3-diamine

5-[1-[(2-fluorophenyl)methyl]tetrazol-5-yl]benzene-1,3-diamine (PubChem CID 61378704) has the molecular formula C14H13FN6 and a molecular weight of 284.30 g/mol. Its IUPAC name is 5-[1-[(2-fluorophenyl)methyl]tetrazol-5-yl]benzene-1,3-diamine.

Molecular Properties

Compound Name5-[1-[(2-fluorophenyl)methyl]tetrazol-5-yl]benzene-1,3-diamine
PubChem CID61378704
Molecular FormulaC14H13FN6
Molecular Weight284.30 g/mol
Exact Mass284.12
IUPAC Name5-[1-[(2-fluorophenyl)methyl]tetrazol-5-yl]benzene-1,3-diamine
SMILESNc1cc(N)cc(-c2nnnn2Cc2ccccc2F)c1
InChIInChI=1S/C14H13FN6/c15-13-4-2-1-3-9(13)8-21-14(18-19-20-21)10-5-11(16)7-12(17)6-10/h1-7H,8,16-17H2
InChIKeyADXYJWVRLVGFKP-UHFFFAOYSA-N
XLogP1.69
TPSA95.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.30
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-[1-[(4-bromophenyl)methyl]tetrazol-5-yl]benzene-1,3-diamine
CID 61377965
2-methyl-5-[1-[(2-methylphenyl)methyl]tetrazol-5-yl]aniline
CID 61378776
5-(1-butyltetrazol-5-yl)benzene-1,3-diamine
CID 61352271
2-chloro-5-[1-[(2-methylphenyl)methyl]tetrazol-5-yl]aniline
CID 61378377
3-(1-benzyltetrazol-5-yl)-4-fluoro-5-methylaniline
CID 103298118
1-[(2,4-difluorophenyl)methyl]tetrazol-5-amine
CID 79506611
4-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]aniline
CID 61352207
1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-amine
CID 7019295
3-[1-[(2-bromophenyl)methyl]tetrazol-5-yl]-4-chloroaniline
CID 61414414
3-[1-[(3-bromophenyl)methyl]tetrazol-5-yl]aniline
CID 61410113
2-[1-[(2-bromophenyl)methyl]tetrazol-5-yl]aniline
CID 61414372
5-(4-bromophenyl)-1-[(2-chlorophenyl)methyl]tetrazole
CID 9421897

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(2-fluorophenyl)methyl]tetrazol-5-yl]benzene-1,3-diamine?
The IUPAC name of 5-[1-[(2-fluorophenyl)methyl]tetrazol-5-yl]benzene-1,3-diamine (CID 61378704) is 5-[1-[(2-fluorophenyl)methyl]tetrazol-5-yl]benzene-1,3-diamine.
What is the SMILES notation for 5-[1-[(2-fluorophenyl)methyl]tetrazol-5-yl]benzene-1,3-diamine?
The canonical SMILES for 5-[1-[(2-fluorophenyl)methyl]tetrazol-5-yl]benzene-1,3-diamine is Nc1cc(N)cc(-c2nnnn2Cc2ccccc2F)c1.
What is the InChIKey of 5-[1-[(2-fluorophenyl)methyl]tetrazol-5-yl]benzene-1,3-diamine?
The InChIKey is ADXYJWVRLVGFKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN6/c15-13-4-2-1-3-9(13)8-21-14(18-19-20-21)10-5-11(16)7-12(17)6-10/h1-7H,8,16-17H2.
What are the key properties of 5-[1-[(2-fluorophenyl)methyl]tetrazol-5-yl]benzene-1,3-diamine?
5-[1-[(2-fluorophenyl)methyl]tetrazol-5-yl]benzene-1,3-diamine has a molecular weight of 284.30 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(2-fluorophenyl)methyl]tetrazol-5-yl]benzene-1,3-diamine is sourced from PubChem (CID 61378704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).