1-N-[(2-prop-2-enoxyphenyl)methyl]tetrazole-1,5-diamine

C11H14N6O — CID 2214282

IUPAC1-N-[(2-prop-2-enoxyphenyl)methyl]tetrazole-1,5-diamine
SMILESC=CCOc1ccccc1CNn1nnnc1N
InChIInChI=1S/C11H14N6O/c1-2-7-18-10-6-4-3-5-9(10)8-13-17-11(12)14-15-16-17/h2-6,13H,1,7-8H2,(H2,12,14,16)
InChIKeyWGUBYIANRTZAKT-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.56
Rot. Bonds6

About 1-N-[(2-prop-2-enoxyphenyl)methyl]tetrazole-1,5-diamine

1-N-[(2-prop-2-enoxyphenyl)methyl]tetrazole-1,5-diamine (PubChem CID 2214282) has the molecular formula C11H14N6O and a molecular weight of 246.27 g/mol. Its IUPAC name is 1-N-[(2-prop-2-enoxyphenyl)methyl]tetrazole-1,5-diamine.

Molecular Properties

Compound Name1-N-[(2-prop-2-enoxyphenyl)methyl]tetrazole-1,5-diamine
PubChem CID2214282
Molecular FormulaC11H14N6O
Molecular Weight246.27 g/mol
Exact Mass246.12
IUPAC Name1-N-[(2-prop-2-enoxyphenyl)methyl]tetrazole-1,5-diamine
SMILESC=CCOc1ccccc1CNn1nnnc1N
InChIInChI=1S/C11H14N6O/c1-2-7-18-10-6-4-3-5-9(10)8-13-17-11(12)14-15-16-17/h2-6,13H,1,7-8H2,(H2,12,14,16)
InChIKeyWGUBYIANRTZAKT-UHFFFAOYSA-N
XLogP0.56
TPSA90.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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 1-N-[(2-prop-2-enoxyphenyl)methyl]tetrazole-1,5-diamine?
The IUPAC name of 1-N-[(2-prop-2-enoxyphenyl)methyl]tetrazole-1,5-diamine (CID 2214282) is 1-N-[(2-prop-2-enoxyphenyl)methyl]tetrazole-1,5-diamine.
What is the SMILES notation for 1-N-[(2-prop-2-enoxyphenyl)methyl]tetrazole-1,5-diamine?
The canonical SMILES for 1-N-[(2-prop-2-enoxyphenyl)methyl]tetrazole-1,5-diamine is C=CCOc1ccccc1CNn1nnnc1N.
What is the InChIKey of 1-N-[(2-prop-2-enoxyphenyl)methyl]tetrazole-1,5-diamine?
The InChIKey is WGUBYIANRTZAKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O/c1-2-7-18-10-6-4-3-5-9(10)8-13-17-11(12)14-15-16-17/h2-6,13H,1,7-8H2,(H2,12,14,16).
What are the key properties of 1-N-[(2-prop-2-enoxyphenyl)methyl]tetrazole-1,5-diamine?
1-N-[(2-prop-2-enoxyphenyl)methyl]tetrazole-1,5-diamine has a molecular weight of 246.27 g/mol, XLogP of 0.56, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(2-prop-2-enoxyphenyl)methyl]tetrazole-1,5-diamine is sourced from PubChem (CID 2214282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).