4-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]benzene-1,3-diamine

C14H13FN6 — CID 61378736

IUPAC4-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]benzene-1,3-diamine
SMILESNc1ccc(-c2nnnn2Cc2ccc(F)cc2)c(N)c1
InChIInChI=1S/C14H13FN6/c15-10-3-1-9(2-4-10)8-21-14(18-19-20-21)12-6-5-11(16)7-13(12)17/h1-7H,8,16-17H2
InChIKeyFJPTWZRIPATWFE-UHFFFAOYSA-N
MW284.30 g/mol
LogP1.69
Rot. Bonds3

About 4-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]benzene-1,3-diamine

4-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]benzene-1,3-diamine (PubChem CID 61378736) has the molecular formula C14H13FN6 and a molecular weight of 284.30 g/mol. Its IUPAC name is 4-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]benzene-1,3-diamine.

Molecular Properties

Compound Name4-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]benzene-1,3-diamine
PubChem CID61378736
Molecular FormulaC14H13FN6
Molecular Weight284.30 g/mol
Exact Mass284.12
IUPAC Name4-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]benzene-1,3-diamine
SMILESNc1ccc(-c2nnnn2Cc2ccc(F)cc2)c(N)c1
InChIInChI=1S/C14H13FN6/c15-10-3-1-9(2-4-10)8-21-14(18-19-20-21)12-6-5-11(16)7-13(12)17/h1-7H,8,16-17H2
InChIKeyFJPTWZRIPATWFE-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

4-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]aniline
CID 61352207
4-[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]benzene-1,3-diamine
CID 61352878
4-(1-methyltetrazol-5-yl)benzene-1,3-diamine
CID 61352453
3-(1-benzyltetrazol-5-yl)-4-fluoro-5-methylaniline
CID 103298118
5-fluoro-2-[1-(2-methoxypropyl)tetrazol-5-yl]aniline
CID 102700364
4-[1-[(4-bromophenyl)methyl]tetrazol-5-yl]aniline
CID 61353401
4-chloro-3-[1-(2,2-difluoroethyl)tetrazol-5-yl]aniline
CID 113304028
5-[1-[(4-bromophenyl)methyl]tetrazol-5-yl]benzene-1,3-diamine
CID 61377965
2-[1-(cyclopropylmethyl)tetrazol-5-yl]-4-fluoroaniline
CID 61351666
5-chloro-2-[1-(cyclopropylmethyl)tetrazol-5-yl]aniline
CID 61351853
3-(1-benzyltetrazol-5-yl)-2-methylaniline
CID 61353888
4-fluoro-2-(1-propyltetrazol-5-yl)aniline
CID 61376378

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]benzene-1,3-diamine?
The IUPAC name of 4-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]benzene-1,3-diamine (CID 61378736) is 4-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]benzene-1,3-diamine.
What is the SMILES notation for 4-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]benzene-1,3-diamine?
The canonical SMILES for 4-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]benzene-1,3-diamine is Nc1ccc(-c2nnnn2Cc2ccc(F)cc2)c(N)c1.
What is the InChIKey of 4-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]benzene-1,3-diamine?
The InChIKey is FJPTWZRIPATWFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN6/c15-10-3-1-9(2-4-10)8-21-14(18-19-20-21)12-6-5-11(16)7-13(12)17/h1-7H,8,16-17H2.
What are the key properties of 4-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]benzene-1,3-diamine?
4-[1-[(4-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 4-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]benzene-1,3-diamine is sourced from PubChem (CID 61378736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).