1-[(3-fluorophenyl)methyl]tetrazol-5-amine

C8H8FN5 — CID 79506981

IUPAC1-[(3-fluorophenyl)methyl]tetrazol-5-amine
SMILESNc1nnnn1Cc1cccc(F)c1
InChIInChI=1S/C8H8FN5/c9-7-3-1-2-6(4-7)5-14-8(10)11-12-13-14/h1-4H,5H2,(H2,10,11,13)
InChIKeyCDFLFXPNHYFATH-UHFFFAOYSA-N
MW193.19 g/mol
LogP0.44
Rot. Bonds2

About 1-[(3-fluorophenyl)methyl]tetrazol-5-amine

1-[(3-fluorophenyl)methyl]tetrazol-5-amine (PubChem CID 79506981) has the molecular formula C8H8FN5 and a molecular weight of 193.19 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]tetrazol-5-amine.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]tetrazol-5-amine
PubChem CID79506981
Molecular FormulaC8H8FN5
Molecular Weight193.19 g/mol
Exact Mass193.08
IUPAC Name1-[(3-fluorophenyl)methyl]tetrazol-5-amine
SMILESNc1nnnn1Cc1cccc(F)c1
InChIInChI=1S/C8H8FN5/c9-7-3-1-2-6(4-7)5-14-8(10)11-12-13-14/h1-4H,5H2,(H2,10,11,13)
InChIKeyCDFLFXPNHYFATH-UHFFFAOYSA-N
XLogP0.44
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.19
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[1-[(3-fluorophenyl)methyl]tetrazol-5-yl]-2-methylaniline
CID 61376820
2-[1-[(3-fluorophenyl)methyl]tetrazol-5-yl]acetic acid
CID 84758809
1-[(3-chloro-4-fluorophenyl)methyl]tetrazol-5-amine
CID 79505932
1-[(3-nitrophenyl)methyl]tetrazol-5-amine
CID 777340
1-[(2,4-difluorophenyl)methyl]tetrazol-5-amine
CID 79506611
5-amino-1-[(3-fluorophenyl)methyl]triazole-4-carbonitrile
CID 54300581
5-ethylsulfonyl-3-[(3-fluorophenyl)methyl]triazol-4-amine
CID 82211853
1-[(3,4-dimethoxyphenyl)methyl]tetrazol-5-amine
CID 79506309
3-[1-[(3-fluorophenyl)methyl]-5-methyltriazol-4-yl]propan-1-amine
CID 82211859
1-[(3-fluorophenyl)methyl]-4-phenyltetrazol-5-one
CID 17482252
1-[(3-fluorophenyl)methyl]benzotriazole-4-carboxylic acid
CID 115541625
3-[(3-fluorophenyl)methyl]-1,2,3-benzotriazin-4-one
CID 2988728

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]tetrazol-5-amine?
The IUPAC name of 1-[(3-fluorophenyl)methyl]tetrazol-5-amine (CID 79506981) is 1-[(3-fluorophenyl)methyl]tetrazol-5-amine.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]tetrazol-5-amine?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]tetrazol-5-amine is Nc1nnnn1Cc1cccc(F)c1.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]tetrazol-5-amine?
The InChIKey is CDFLFXPNHYFATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FN5/c9-7-3-1-2-6(4-7)5-14-8(10)11-12-13-14/h1-4H,5H2,(H2,10,11,13).
What are the key properties of 1-[(3-fluorophenyl)methyl]tetrazol-5-amine?
1-[(3-fluorophenyl)methyl]tetrazol-5-amine has a molecular weight of 193.19 g/mol, XLogP of 0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]tetrazol-5-amine is sourced from PubChem (CID 79506981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).