3-[1-(2-methylpropyl)tetrazol-5-yl]aniline

C11H15N5 — CID 3031870

IUPAC3-[1-(2-methylpropyl)tetrazol-5-yl]aniline
SMILESCC(C)Cn1nnnc1-c1cccc(N)c1
InChIInChI=1S/C11H15N5/c1-8(2)7-16-11(13-14-15-16)9-4-3-5-10(12)6-9/h3-6,8H,7,12H2,1-2H3
InChIKeyJQVJRHOCQXWSKL-UHFFFAOYSA-N
MW217.28 g/mol
LogP1.58
Rot. Bonds3

About 3-[1-(2-methylpropyl)tetrazol-5-yl]aniline

3-[1-(2-methylpropyl)tetrazol-5-yl]aniline (PubChem CID 3031870) has the molecular formula C11H15N5 and a molecular weight of 217.28 g/mol. Its IUPAC name is 3-[1-(2-methylpropyl)tetrazol-5-yl]aniline.

Molecular Properties

Compound Name3-[1-(2-methylpropyl)tetrazol-5-yl]aniline
PubChem CID3031870
Molecular FormulaC11H15N5
Molecular Weight217.28 g/mol
Exact Mass217.13
IUPAC Name3-[1-(2-methylpropyl)tetrazol-5-yl]aniline
SMILESCC(C)Cn1nnnc1-c1cccc(N)c1
InChIInChI=1S/C11H15N5/c1-8(2)7-16-11(13-14-15-16)9-4-3-5-10(12)6-9/h3-6,8H,7,12H2,1-2H3
InChIKeyJQVJRHOCQXWSKL-UHFFFAOYSA-N
XLogP1.58
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 51.58
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 3-[1-(2-methylpropyl)tetrazol-5-yl]aniline?
The IUPAC name of 3-[1-(2-methylpropyl)tetrazol-5-yl]aniline (CID 3031870) is 3-[1-(2-methylpropyl)tetrazol-5-yl]aniline.
What is the SMILES notation for 3-[1-(2-methylpropyl)tetrazol-5-yl]aniline?
The canonical SMILES for 3-[1-(2-methylpropyl)tetrazol-5-yl]aniline is CC(C)Cn1nnnc1-c1cccc(N)c1.
What is the InChIKey of 3-[1-(2-methylpropyl)tetrazol-5-yl]aniline?
The InChIKey is JQVJRHOCQXWSKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5/c1-8(2)7-16-11(13-14-15-16)9-4-3-5-10(12)6-9/h3-6,8H,7,12H2,1-2H3.
What are the key properties of 3-[1-(2-methylpropyl)tetrazol-5-yl]aniline?
3-[1-(2-methylpropyl)tetrazol-5-yl]aniline has a molecular weight of 217.28 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-methylpropyl)tetrazol-5-yl]aniline is sourced from PubChem (CID 3031870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).