3,5-difluoro-N-[(2-methyltetrazol-5-yl)methyl]aniline

C9H9F2N5 — CID 107042078

IUPAC3,5-difluoro-N-[(2-methyltetrazol-5-yl)methyl]aniline
SMILESCn1nnc(CNc2cc(F)cc(F)c2)n1
InChIInChI=1S/C9H9F2N5/c1-16-14-9(13-15-16)5-12-8-3-6(10)2-7(11)4-8/h2-4,12H,5H2,1H3
InChIKeyQAIFCCLNRSJMKJ-UHFFFAOYSA-N
MW225.20 g/mol
LogP1.10
Rot. Bonds3

About 3,5-difluoro-N-[(2-methyltetrazol-5-yl)methyl]aniline

3,5-difluoro-N-[(2-methyltetrazol-5-yl)methyl]aniline (PubChem CID 107042078) has the molecular formula C9H9F2N5 and a molecular weight of 225.20 g/mol. Its IUPAC name is 3,5-difluoro-N-[(2-methyltetrazol-5-yl)methyl]aniline.

Molecular Properties

Compound Name3,5-difluoro-N-[(2-methyltetrazol-5-yl)methyl]aniline
PubChem CID107042078
Molecular FormulaC9H9F2N5
Molecular Weight225.20 g/mol
Exact Mass225.08
IUPAC Name3,5-difluoro-N-[(2-methyltetrazol-5-yl)methyl]aniline
SMILESCn1nnc(CNc2cc(F)cc(F)c2)n1
InChIInChI=1S/C9H9F2N5/c1-16-14-9(13-15-16)5-12-8-3-6(10)2-7(11)4-8/h2-4,12H,5H2,1H3
InChIKeyQAIFCCLNRSJMKJ-UHFFFAOYSA-N
XLogP1.10
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1H-Tetrazole-5-ethanamine, N-phenyl-
CID 3041345
N-(4-chlorophenyl)-N-(2-methyl-2H-tetrazol-5-ylmethyl)amine
CID 11299037
3-[[2-(2,2,2-Trifluoroethyl)tetrazol-5-yl]methylamino]benzonitrile
CID 121567687
N-hexyl-N-(2H-tetrazol-5-ylmethyl)aniline
CID 122191162
N-[(2-tert-butyltetrazol-5-yl)methyl]-N-prop-2-enylaniline
CID 132970638
3-Fluorophenyl-(3-tetrazol-2-yl-propyl)-amine
CID 18348927
2-Fluorophenyl-(3-tetrazol-2-yl-propyl)-amine
CID 18348940
4-fluoro-N-[3-(tetrazol-2-yl)propyl]aniline
CID 18349108
N-(2,4-difluorophenyl)-5-dodecyl-2H-tetrazole-2-acetamide
CID 19036057
3,5-difluoro-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]aniline
CID 23575073
N-[2-fluoro-3-(tetrazol-2-yl)propyl]aniline
CID 53905412
N-[3-fluoro-3-(tetrazol-2-yl)propyl]aniline
CID 54092324

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-[(2-methyltetrazol-5-yl)methyl]aniline?
The IUPAC name of 3,5-difluoro-N-[(2-methyltetrazol-5-yl)methyl]aniline (CID 107042078) is 3,5-difluoro-N-[(2-methyltetrazol-5-yl)methyl]aniline.
What is the SMILES notation for 3,5-difluoro-N-[(2-methyltetrazol-5-yl)methyl]aniline?
The canonical SMILES for 3,5-difluoro-N-[(2-methyltetrazol-5-yl)methyl]aniline is Cn1nnc(CNc2cc(F)cc(F)c2)n1.
What is the InChIKey of 3,5-difluoro-N-[(2-methyltetrazol-5-yl)methyl]aniline?
The InChIKey is QAIFCCLNRSJMKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2N5/c1-16-14-9(13-15-16)5-12-8-3-6(10)2-7(11)4-8/h2-4,12H,5H2,1H3.
What are the key properties of 3,5-difluoro-N-[(2-methyltetrazol-5-yl)methyl]aniline?
3,5-difluoro-N-[(2-methyltetrazol-5-yl)methyl]aniline has a molecular weight of 225.20 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-[(2-methyltetrazol-5-yl)methyl]aniline is sourced from PubChem (CID 107042078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).