4-methylidene-N-prop-2-enylbenzotriazol-5-amine

C10H10N4 — CID 175527852

IUPAC4-methylidene-N-prop-2-enylbenzotriazol-5-amine
SMILESC=CCNc1ccc2c(c1=C)=NN=N2
InChIInChI=1S/C10H10N4/c1-3-6-11-8-4-5-9-10(7(8)2)13-14-12-9/h3-5,11H,1-2,6H2
InChIKeyWKZCNPYZPQBDTO-UHFFFAOYSA-N
MW186.22 g/mol
LogP1.33
Rot. Bonds3

About 4-methylidene-N-prop-2-enylbenzotriazol-5-amine

4-methylidene-N-prop-2-enylbenzotriazol-5-amine (PubChem CID 175527852) has the molecular formula C10H10N4 and a molecular weight of 186.22 g/mol. Its IUPAC name is 4-methylidene-N-prop-2-enylbenzotriazol-5-amine.

Molecular Properties

Compound Name4-methylidene-N-prop-2-enylbenzotriazol-5-amine
PubChem CID175527852
Molecular FormulaC10H10N4
Molecular Weight186.22 g/mol
Exact Mass186.09
IUPAC Name4-methylidene-N-prop-2-enylbenzotriazol-5-amine
SMILESC=CCNc1ccc2c(c1=C)=NN=N2
InChIInChI=1S/C10H10N4/c1-3-6-11-8-4-5-9-10(7(8)2)13-14-12-9/h3-5,11H,1-2,6H2
InChIKeyWKZCNPYZPQBDTO-UHFFFAOYSA-N
XLogP1.33
TPSA49.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.22
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methylidene-N-prop-2-enylbenzotriazol-5-amine?
The IUPAC name of 4-methylidene-N-prop-2-enylbenzotriazol-5-amine (CID 175527852) is 4-methylidene-N-prop-2-enylbenzotriazol-5-amine.
What is the SMILES notation for 4-methylidene-N-prop-2-enylbenzotriazol-5-amine?
The canonical SMILES for 4-methylidene-N-prop-2-enylbenzotriazol-5-amine is C=CCNc1ccc2c(c1=C)=NN=N2.
What is the InChIKey of 4-methylidene-N-prop-2-enylbenzotriazol-5-amine?
The InChIKey is WKZCNPYZPQBDTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4/c1-3-6-11-8-4-5-9-10(7(8)2)13-14-12-9/h3-5,11H,1-2,6H2.
What are the key properties of 4-methylidene-N-prop-2-enylbenzotriazol-5-amine?
4-methylidene-N-prop-2-enylbenzotriazol-5-amine has a molecular weight of 186.22 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylidene-N-prop-2-enylbenzotriazol-5-amine is sourced from PubChem (CID 175527852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).