1-[(2,4-difluorophenyl)methyl]tetrazol-5-amine

C8H7F2N5 — CID 79506611

IUPAC1-[(2,4-difluorophenyl)methyl]tetrazol-5-amine
SMILESNc1nnnn1Cc1ccc(F)cc1F
InChIInChI=1S/C8H7F2N5/c9-6-2-1-5(7(10)3-6)4-15-8(11)12-13-14-15/h1-3H,4H2,(H2,11,12,14)
InChIKeyAPRZMFBIPNLVSN-UHFFFAOYSA-N
MW211.18 g/mol
LogP0.58
Rot. Bonds2

About 1-[(2,4-difluorophenyl)methyl]tetrazol-5-amine

1-[(2,4-difluorophenyl)methyl]tetrazol-5-amine (PubChem CID 79506611) has the molecular formula C8H7F2N5 and a molecular weight of 211.18 g/mol. Its IUPAC name is 1-[(2,4-difluorophenyl)methyl]tetrazol-5-amine.

Molecular Properties

Compound Name1-[(2,4-difluorophenyl)methyl]tetrazol-5-amine
PubChem CID79506611
Molecular FormulaC8H7F2N5
Molecular Weight211.18 g/mol
Exact Mass211.07
IUPAC Name1-[(2,4-difluorophenyl)methyl]tetrazol-5-amine
SMILESNc1nnnn1Cc1ccc(F)cc1F
InChIInChI=1S/C8H7F2N5/c9-6-2-1-5(7(10)3-6)4-15-8(11)12-13-14-15/h1-3H,4H2,(H2,11,12,14)
InChIKeyAPRZMFBIPNLVSN-UHFFFAOYSA-N
XLogP0.58
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.18
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2,4-difluorophenyl)methyl]-5-methyltriazol-4-amine
CID 79541938
1-[(3-fluorophenyl)methyl]tetrazol-5-amine
CID 79506981
1-[(3-chloro-4-fluorophenyl)methyl]tetrazol-5-amine
CID 79505932
1-[(2,4-difluorophenyl)methyl]indazol-6-amine
CID 62197807
1-[(2,4-difluorophenyl)methyl]pyrazol-3-amine
CID 50999564
1-(2,4-difluorophenyl)-N-methyl-N-[(1-propyltetrazol-5-yl)methyl]methanamine
CID 134001706
ethyl 5-(aminomethyl)-1-[(2,4-difluorophenyl)methyl]triazole-4-carboxylate
CID 103111505
5-[1-[(2-fluorophenyl)methyl]tetrazol-5-yl]benzene-1,3-diamine
CID 61378704
1-[(2,4-difluorophenyl)methyl]-5-propyltriazole-4-carboxylic acid
CID 53193049
1-[(2-chloro-4-fluorophenyl)methyl]-5-[5-fluoro-2-(trifluoromethyl)phenyl]tetrazole
CID 23019852
3-chloro-4-[(2,4-difluorophenyl)methyl]-1,2,4-triazole
CID 63385773
1-[(2,4-difluorophenyl)methyl]-2,5-dimethylpyrrole
CID 19986378

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-difluorophenyl)methyl]tetrazol-5-amine?
The IUPAC name of 1-[(2,4-difluorophenyl)methyl]tetrazol-5-amine (CID 79506611) is 1-[(2,4-difluorophenyl)methyl]tetrazol-5-amine.
What is the SMILES notation for 1-[(2,4-difluorophenyl)methyl]tetrazol-5-amine?
The canonical SMILES for 1-[(2,4-difluorophenyl)methyl]tetrazol-5-amine is Nc1nnnn1Cc1ccc(F)cc1F.
What is the InChIKey of 1-[(2,4-difluorophenyl)methyl]tetrazol-5-amine?
The InChIKey is APRZMFBIPNLVSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2N5/c9-6-2-1-5(7(10)3-6)4-15-8(11)12-13-14-15/h1-3H,4H2,(H2,11,12,14).
What are the key properties of 1-[(2,4-difluorophenyl)methyl]tetrazol-5-amine?
1-[(2,4-difluorophenyl)methyl]tetrazol-5-amine has a molecular weight of 211.18 g/mol, XLogP of 0.58, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-difluorophenyl)methyl]tetrazol-5-amine is sourced from PubChem (CID 79506611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).