1-N-[(3-methoxy-2-prop-2-enoxyphenyl)methyl]tetrazole-1,5-diamine

C12H16N6O2 — CID 3155255

IUPAC1-N-[(3-methoxy-2-prop-2-enoxyphenyl)methyl]tetrazole-1,5-diamine
SMILESC=CCOc1c(CNn2nnnc2N)cccc1OC
InChIInChI=1S/C12H16N6O2/c1-3-7-20-11-9(5-4-6-10(11)19-2)8-14-18-12(13)15-16-17-18/h3-6,14H,1,7-8H2,2H3,(H2,13,15,17)
InChIKeyCMTMLASFEYSHCG-UHFFFAOYSA-N
MW276.30 g/mol
LogP0.57
Rot. Bonds7

About 1-N-[(3-methoxy-2-prop-2-enoxyphenyl)methyl]tetrazole-1,5-diamine

1-N-[(3-methoxy-2-prop-2-enoxyphenyl)methyl]tetrazole-1,5-diamine (PubChem CID 3155255) has the molecular formula C12H16N6O2 and a molecular weight of 276.30 g/mol. Its IUPAC name is 1-N-[(3-methoxy-2-prop-2-enoxyphenyl)methyl]tetrazole-1,5-diamine.

Molecular Properties

Compound Name1-N-[(3-methoxy-2-prop-2-enoxyphenyl)methyl]tetrazole-1,5-diamine
PubChem CID3155255
Molecular FormulaC12H16N6O2
Molecular Weight276.30 g/mol
Exact Mass276.13
IUPAC Name1-N-[(3-methoxy-2-prop-2-enoxyphenyl)methyl]tetrazole-1,5-diamine
SMILESC=CCOc1c(CNn2nnnc2N)cccc1OC
InChIInChI=1S/C12H16N6O2/c1-3-7-20-11-9(5-4-6-10(11)19-2)8-14-18-12(13)15-16-17-18/h3-6,14H,1,7-8H2,2H3,(H2,13,15,17)
InChIKeyCMTMLASFEYSHCG-UHFFFAOYSA-N
XLogP0.57
TPSA100.11 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 1-N-[(3-methoxy-2-prop-2-enoxyphenyl)methyl]tetrazole-1,5-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-N-[(3-methoxy-2-prop-2-enoxyphenyl)methyl]tetrazole-1,5-diamine?
The IUPAC name of 1-N-[(3-methoxy-2-prop-2-enoxyphenyl)methyl]tetrazole-1,5-diamine (CID 3155255) is 1-N-[(3-methoxy-2-prop-2-enoxyphenyl)methyl]tetrazole-1,5-diamine.
What is the SMILES notation for 1-N-[(3-methoxy-2-prop-2-enoxyphenyl)methyl]tetrazole-1,5-diamine?
The canonical SMILES for 1-N-[(3-methoxy-2-prop-2-enoxyphenyl)methyl]tetrazole-1,5-diamine is C=CCOc1c(CNn2nnnc2N)cccc1OC.
What is the InChIKey of 1-N-[(3-methoxy-2-prop-2-enoxyphenyl)methyl]tetrazole-1,5-diamine?
The InChIKey is CMTMLASFEYSHCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O2/c1-3-7-20-11-9(5-4-6-10(11)19-2)8-14-18-12(13)15-16-17-18/h3-6,14H,1,7-8H2,2H3,(H2,13,15,17).
What are the key properties of 1-N-[(3-methoxy-2-prop-2-enoxyphenyl)methyl]tetrazole-1,5-diamine?
1-N-[(3-methoxy-2-prop-2-enoxyphenyl)methyl]tetrazole-1,5-diamine has a molecular weight of 276.30 g/mol, XLogP of 0.57, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(3-methoxy-2-prop-2-enoxyphenyl)methyl]tetrazole-1,5-diamine is sourced from PubChem (CID 3155255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).