4-cyclopropyl-2-fluoro-5-(5-propan-2-yltetrazol-1-yl)aniline

C13H16FN5 — CID 58065813

IUPAC4-cyclopropyl-2-fluoro-5-(5-propan-2-yltetrazol-1-yl)aniline
SMILESCC(C)c1nnnn1-c1cc(N)c(F)cc1C1CC1
InChIInChI=1S/C13H16FN5/c1-7(2)13-16-17-18-19(13)12-6-11(15)10(14)5-9(12)8-3-4-8/h5-8H,3-4,15H2,1-2H3
InChIKeyODNTYJRHZREYML-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.38
Rot. Bonds3

About 4-cyclopropyl-2-fluoro-5-(5-propan-2-yltetrazol-1-yl)aniline

4-cyclopropyl-2-fluoro-5-(5-propan-2-yltetrazol-1-yl)aniline (PubChem CID 58065813) has the molecular formula C13H16FN5 and a molecular weight of 261.30 g/mol. Its IUPAC name is 4-cyclopropyl-2-fluoro-5-(5-propan-2-yltetrazol-1-yl)aniline.

Molecular Properties

Compound Name4-cyclopropyl-2-fluoro-5-(5-propan-2-yltetrazol-1-yl)aniline
PubChem CID58065813
Molecular FormulaC13H16FN5
Molecular Weight261.30 g/mol
Exact Mass261.14
IUPAC Name4-cyclopropyl-2-fluoro-5-(5-propan-2-yltetrazol-1-yl)aniline
SMILESCC(C)c1nnnn1-c1cc(N)c(F)cc1C1CC1
InChIInChI=1S/C13H16FN5/c1-7(2)13-16-17-18-19(13)12-6-11(15)10(14)5-9(12)8-3-4-8/h5-8H,3-4,15H2,1-2H3
InChIKeyODNTYJRHZREYML-UHFFFAOYSA-N
XLogP2.38
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-fluoro-5-(5-propan-2-yltetrazol-1-yl)aniline?
The IUPAC name of 4-cyclopropyl-2-fluoro-5-(5-propan-2-yltetrazol-1-yl)aniline (CID 58065813) is 4-cyclopropyl-2-fluoro-5-(5-propan-2-yltetrazol-1-yl)aniline.
What is the SMILES notation for 4-cyclopropyl-2-fluoro-5-(5-propan-2-yltetrazol-1-yl)aniline?
The canonical SMILES for 4-cyclopropyl-2-fluoro-5-(5-propan-2-yltetrazol-1-yl)aniline is CC(C)c1nnnn1-c1cc(N)c(F)cc1C1CC1.
What is the InChIKey of 4-cyclopropyl-2-fluoro-5-(5-propan-2-yltetrazol-1-yl)aniline?
The InChIKey is ODNTYJRHZREYML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN5/c1-7(2)13-16-17-18-19(13)12-6-11(15)10(14)5-9(12)8-3-4-8/h5-8H,3-4,15H2,1-2H3.
What are the key properties of 4-cyclopropyl-2-fluoro-5-(5-propan-2-yltetrazol-1-yl)aniline?
4-cyclopropyl-2-fluoro-5-(5-propan-2-yltetrazol-1-yl)aniline has a molecular weight of 261.30 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-fluoro-5-(5-propan-2-yltetrazol-1-yl)aniline is sourced from PubChem (CID 58065813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).