4-(1-methyltetrazol-5-yl)aniline

C8H9N5 — CID 22259018

IUPAC4-(1-methyltetrazol-5-yl)aniline
SMILESCn1nnnc1-c1ccc(N)cc1
InChIInChI=1S/C8H9N5/c1-13-8(10-11-12-13)6-2-4-7(9)5-3-6/h2-5H,9H2,1H3
InChIKeySKVMRLXRFMCIFD-UHFFFAOYSA-N
MW175.19 g/mol
LogP0.46
Rot. Bonds1

About 4-(1-methyltetrazol-5-yl)aniline

4-(1-methyltetrazol-5-yl)aniline (PubChem CID 22259018) has the molecular formula C8H9N5 and a molecular weight of 175.19 g/mol. Its IUPAC name is 4-(1-methyltetrazol-5-yl)aniline.

Molecular Properties

Compound Name4-(1-methyltetrazol-5-yl)aniline
PubChem CID22259018
Molecular FormulaC8H9N5
Molecular Weight175.19 g/mol
Exact Mass175.09
IUPAC Name4-(1-methyltetrazol-5-yl)aniline
SMILESCn1nnnc1-c1ccc(N)cc1
InChIInChI=1S/C8H9N5/c1-13-8(10-11-12-13)6-2-4-7(9)5-3-6/h2-5H,9H2,1H3
InChIKeySKVMRLXRFMCIFD-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 4-(1-methyltetrazol-5-yl)aniline?
The IUPAC name of 4-(1-methyltetrazol-5-yl)aniline (CID 22259018) is 4-(1-methyltetrazol-5-yl)aniline.
What is the SMILES notation for 4-(1-methyltetrazol-5-yl)aniline?
The canonical SMILES for 4-(1-methyltetrazol-5-yl)aniline is Cn1nnnc1-c1ccc(N)cc1.
What is the InChIKey of 4-(1-methyltetrazol-5-yl)aniline?
The InChIKey is SKVMRLXRFMCIFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5/c1-13-8(10-11-12-13)6-2-4-7(9)5-3-6/h2-5H,9H2,1H3.
What are the key properties of 4-(1-methyltetrazol-5-yl)aniline?
4-(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 4-(1-methyltetrazol-5-yl)aniline is sourced from PubChem (CID 22259018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).