3-methoxy-2-(1-propyltetrazol-5-yl)aniline

C11H15N5O — CID 81413821

IUPAC3-methoxy-2-(1-propyltetrazol-5-yl)aniline
SMILESCCCn1nnnc1-c1c(N)cccc1OC
InChIInChI=1S/C11H15N5O/c1-3-7-16-11(13-14-15-16)10-8(12)5-4-6-9(10)17-2/h4-6H,3,7,12H2,1-2H3
InChIKeyASGHLBFDIVJPPC-UHFFFAOYSA-N
MW233.28 g/mol
LogP1.34
Rot. Bonds4

About 3-methoxy-2-(1-propyltetrazol-5-yl)aniline

3-methoxy-2-(1-propyltetrazol-5-yl)aniline (PubChem CID 81413821) has the molecular formula C11H15N5O and a molecular weight of 233.28 g/mol. Its IUPAC name is 3-methoxy-2-(1-propyltetrazol-5-yl)aniline.

Molecular Properties

Compound Name3-methoxy-2-(1-propyltetrazol-5-yl)aniline
PubChem CID81413821
Molecular FormulaC11H15N5O
Molecular Weight233.28 g/mol
Exact Mass233.13
IUPAC Name3-methoxy-2-(1-propyltetrazol-5-yl)aniline
SMILESCCCn1nnnc1-c1c(N)cccc1OC
InChIInChI=1S/C11H15N5O/c1-3-7-16-11(13-14-15-16)10-8(12)5-4-6-9(10)17-2/h4-6H,3,7,12H2,1-2H3
InChIKeyASGHLBFDIVJPPC-UHFFFAOYSA-N
XLogP1.34
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.28
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-methoxy-2-(1-propyltetrazol-5-yl)aniline?
The IUPAC name of 3-methoxy-2-(1-propyltetrazol-5-yl)aniline (CID 81413821) is 3-methoxy-2-(1-propyltetrazol-5-yl)aniline.
What is the SMILES notation for 3-methoxy-2-(1-propyltetrazol-5-yl)aniline?
The canonical SMILES for 3-methoxy-2-(1-propyltetrazol-5-yl)aniline is CCCn1nnnc1-c1c(N)cccc1OC.
What is the InChIKey of 3-methoxy-2-(1-propyltetrazol-5-yl)aniline?
The InChIKey is ASGHLBFDIVJPPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c1-3-7-16-11(13-14-15-16)10-8(12)5-4-6-9(10)17-2/h4-6H,3,7,12H2,1-2H3.
What are the key properties of 3-methoxy-2-(1-propyltetrazol-5-yl)aniline?
3-methoxy-2-(1-propyltetrazol-5-yl)aniline has a molecular weight of 233.28 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-(1-propyltetrazol-5-yl)aniline is sourced from PubChem (CID 81413821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).