N-[(2-chloro-6-fluorophenyl)methyl]-1-methyltetrazol-5-amine

C9H9ClFN5 — CID 1251687

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-1-methyltetrazol-5-amine
SMILESCn1nnnc1NCc1c(F)cccc1Cl
InChIInChI=1S/C9H9ClFN5/c1-16-9(13-14-15-16)12-5-6-7(10)3-2-4-8(6)11/h2-4H,5H2,1H3,(H,12,13,15)
InChIKeyVSDCIULKKGWKEH-UHFFFAOYSA-N
MW241.66 g/mol
LogP1.61
Rot. Bonds3

About N-[(2-chloro-6-fluorophenyl)methyl]-1-methyltetrazol-5-amine

N-[(2-chloro-6-fluorophenyl)methyl]-1-methyltetrazol-5-amine (PubChem CID 1251687) has the molecular formula C9H9ClFN5 and a molecular weight of 241.66 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-1-methyltetrazol-5-amine.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-1-methyltetrazol-5-amine
PubChem CID1251687
Molecular FormulaC9H9ClFN5
Molecular Weight241.66 g/mol
Exact Mass241.05
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-1-methyltetrazol-5-amine
SMILESCn1nnnc1NCc1c(F)cccc1Cl
InChIInChI=1S/C9H9ClFN5/c1-16-9(13-14-15-16)12-5-6-7(10)3-2-4-8(6)11/h2-4H,5H2,1H3,(H,12,13,15)
InChIKeyVSDCIULKKGWKEH-UHFFFAOYSA-N
XLogP1.61
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.66
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-chlorophenyl)methyl]-1-methyltetrazol-5-amine
CID 4725595
N-[(2-chloro-6-fluorophenyl)methyl]-1,3,5-trimethylpyrazol-4-amine
CID 28664744
N-[2-(2-fluorophenyl)ethyl]-1-methyltetrazol-5-amine
CID 63151902
N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-1-methyltetrazol-5-amine
CID 4726884
N-[(2-chloro-6-methylphenyl)methyl]-1-(2,3-dichlorophenyl)tetrazol-5-amine
CID 68582363
4-[(2-chloro-6-fluorophenyl)methylamino]-1-methylpyrazole-5-carboxylic acid
CID 19624725
N-[(2-chloro-6-fluorophenyl)methyl]-1H-1,2,4-triazol-5-amine
CID 962179
5-[(2-chloro-6-fluorophenyl)methyl]-2-propan-2-yltetrazole
CID 143805437
N-[(2-chloro-6-fluorophenyl)methyl]-2-fluoro-5-(tetrazol-1-yl)aniline
CID 55820884
N-[(2-chloro-6-fluorophenyl)methyl]-1H-pyrazol-4-amine
CID 43539940
1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]tetrazol-5-amine
CID 61225671
N-[[4-(2-aminoethyl)phenyl]methyl]-1-methyltetrazol-5-amine
CID 63150195

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-1-methyltetrazol-5-amine?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-1-methyltetrazol-5-amine (CID 1251687) is N-[(2-chloro-6-fluorophenyl)methyl]-1-methyltetrazol-5-amine.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-1-methyltetrazol-5-amine?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-1-methyltetrazol-5-amine is Cn1nnnc1NCc1c(F)cccc1Cl.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-1-methyltetrazol-5-amine?
The InChIKey is VSDCIULKKGWKEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClFN5/c1-16-9(13-14-15-16)12-5-6-7(10)3-2-4-8(6)11/h2-4H,5H2,1H3,(H,12,13,15).
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-1-methyltetrazol-5-amine?
N-[(2-chloro-6-fluorophenyl)methyl]-1-methyltetrazol-5-amine has a molecular weight of 241.66 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]-1-methyltetrazol-5-amine is sourced from PubChem (CID 1251687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).