4-(1-prop-2-enyltetrazol-5-yl)aniline

C10H11N5 — CID 82228472

IUPAC4-(1-prop-2-enyltetrazol-5-yl)aniline
SMILESC=CCn1nnnc1-c1ccc(N)cc1
InChIInChI=1S/C10H11N5/c1-2-7-15-10(12-13-14-15)8-3-5-9(11)6-4-8/h2-6H,1,7,11H2
InChIKeyBIGULYWWHROSNC-UHFFFAOYSA-N
MW201.23 g/mol
LogP1.11
Rot. Bonds3

About 4-(1-prop-2-enyltetrazol-5-yl)aniline

4-(1-prop-2-enyltetrazol-5-yl)aniline (PubChem CID 82228472) has the molecular formula C10H11N5 and a molecular weight of 201.23 g/mol. Its IUPAC name is 4-(1-prop-2-enyltetrazol-5-yl)aniline.

Molecular Properties

Compound Name4-(1-prop-2-enyltetrazol-5-yl)aniline
PubChem CID82228472
Molecular FormulaC10H11N5
Molecular Weight201.23 g/mol
Exact Mass201.10
IUPAC Name4-(1-prop-2-enyltetrazol-5-yl)aniline
SMILESC=CCn1nnnc1-c1ccc(N)cc1
InChIInChI=1S/C10H11N5/c1-2-7-15-10(12-13-14-15)8-3-5-9(11)6-4-8/h2-6H,1,7,11H2
InChIKeyBIGULYWWHROSNC-UHFFFAOYSA-N
XLogP1.11
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(1-prop-2-enyltetrazol-5-yl)aniline?
The IUPAC name of 4-(1-prop-2-enyltetrazol-5-yl)aniline (CID 82228472) is 4-(1-prop-2-enyltetrazol-5-yl)aniline.
What is the SMILES notation for 4-(1-prop-2-enyltetrazol-5-yl)aniline?
The canonical SMILES for 4-(1-prop-2-enyltetrazol-5-yl)aniline is C=CCn1nnnc1-c1ccc(N)cc1.
What is the InChIKey of 4-(1-prop-2-enyltetrazol-5-yl)aniline?
The InChIKey is BIGULYWWHROSNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5/c1-2-7-15-10(12-13-14-15)8-3-5-9(11)6-4-8/h2-6H,1,7,11H2.
What are the key properties of 4-(1-prop-2-enyltetrazol-5-yl)aniline?
4-(1-prop-2-enyltetrazol-5-yl)aniline has a molecular weight of 201.23 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-prop-2-enyltetrazol-5-yl)aniline is sourced from PubChem (CID 82228472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).