3-(1-methyltetrazol-5-yl)aniline

C8H9N5 — CID 14457675

IUPAC3-(1-methyltetrazol-5-yl)aniline
SMILESCn1nnnc1-c1cccc(N)c1
InChIInChI=1S/C8H9N5/c1-13-8(10-11-12-13)6-3-2-4-7(9)5-6/h2-5H,9H2,1H3
InChIKeyVBBAMBIEAFCKCS-UHFFFAOYSA-N
MW175.19 g/mol
LogP0.46
Rot. Bonds1

About 3-(1-methyltetrazol-5-yl)aniline

3-(1-methyltetrazol-5-yl)aniline (PubChem CID 14457675) has the molecular formula C8H9N5 and a molecular weight of 175.19 g/mol. Its IUPAC name is 3-(1-methyltetrazol-5-yl)aniline.

Molecular Properties

Compound Name3-(1-methyltetrazol-5-yl)aniline
PubChem CID14457675
Molecular FormulaC8H9N5
Molecular Weight175.19 g/mol
Exact Mass175.09
IUPAC Name3-(1-methyltetrazol-5-yl)aniline
SMILESCn1nnnc1-c1cccc(N)c1
InChIInChI=1S/C8H9N5/c1-13-8(10-11-12-13)6-3-2-4-7(9)5-6/h2-5H,9H2,1H3
InChIKeyVBBAMBIEAFCKCS-UHFFFAOYSA-N
XLogP0.46
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 50.46
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-methyltetrazol-5-yl)aniline?
The IUPAC name of 3-(1-methyltetrazol-5-yl)aniline (CID 14457675) is 3-(1-methyltetrazol-5-yl)aniline.
What is the SMILES notation for 3-(1-methyltetrazol-5-yl)aniline?
The canonical SMILES for 3-(1-methyltetrazol-5-yl)aniline is Cn1nnnc1-c1cccc(N)c1.
What is the InChIKey of 3-(1-methyltetrazol-5-yl)aniline?
The InChIKey is VBBAMBIEAFCKCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5/c1-13-8(10-11-12-13)6-3-2-4-7(9)5-6/h2-5H,9H2,1H3.
What are the key properties of 3-(1-methyltetrazol-5-yl)aniline?
3-(1-methyltetrazol-5-yl)aniline has a molecular weight of 175.19 g/mol, XLogP of 0.46, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methyltetrazol-5-yl)aniline is sourced from PubChem (CID 14457675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).