1-(2,4-difluorophenyl)-N,N-dimethyltetrazol-5-amine

C9H9F2N5 — CID 1475257

IUPAC1-(2,4-difluorophenyl)-N,N-dimethyltetrazol-5-amine
SMILESCN(C)c1nnnn1-c1ccc(F)cc1F
InChIInChI=1S/C9H9F2N5/c1-15(2)9-12-13-14-16(9)8-4-3-6(10)5-7(8)11/h3-5H,1-2H3
InChIKeyNMMRXKLQJBJEQO-UHFFFAOYSA-N
MW225.20 g/mol
LogP1.01
Rot. Bonds2

About 1-(2,4-difluorophenyl)-N,N-dimethyltetrazol-5-amine

1-(2,4-difluorophenyl)-N,N-dimethyltetrazol-5-amine (PubChem CID 1475257) has the molecular formula C9H9F2N5 and a molecular weight of 225.20 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-N,N-dimethyltetrazol-5-amine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-N,N-dimethyltetrazol-5-amine
PubChem CID1475257
Molecular FormulaC9H9F2N5
Molecular Weight225.20 g/mol
Exact Mass225.08
IUPAC Name1-(2,4-difluorophenyl)-N,N-dimethyltetrazol-5-amine
SMILESCN(C)c1nnnn1-c1ccc(F)cc1F
InChIInChI=1S/C9H9F2N5/c1-15(2)9-12-13-14-16(9)8-4-3-6(10)5-7(8)11/h3-5H,1-2H3
InChIKeyNMMRXKLQJBJEQO-UHFFFAOYSA-N
XLogP1.01
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-N,N-dimethyltetrazol-5-amine?
The IUPAC name of 1-(2,4-difluorophenyl)-N,N-dimethyltetrazol-5-amine (CID 1475257) is 1-(2,4-difluorophenyl)-N,N-dimethyltetrazol-5-amine.
What is the SMILES notation for 1-(2,4-difluorophenyl)-N,N-dimethyltetrazol-5-amine?
The canonical SMILES for 1-(2,4-difluorophenyl)-N,N-dimethyltetrazol-5-amine is CN(C)c1nnnn1-c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-N,N-dimethyltetrazol-5-amine?
The InChIKey is NMMRXKLQJBJEQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2N5/c1-15(2)9-12-13-14-16(9)8-4-3-6(10)5-7(8)11/h3-5H,1-2H3.
What are the key properties of 1-(2,4-difluorophenyl)-N,N-dimethyltetrazol-5-amine?
1-(2,4-difluorophenyl)-N,N-dimethyltetrazol-5-amine has a molecular weight of 225.20 g/mol, XLogP of 1.01, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-N,N-dimethyltetrazol-5-amine is sourced from PubChem (CID 1475257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).