1-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]tetrazol-5-amine

C11H12N6O — CID 6872963

IUPAC1-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]tetrazol-5-amine
SMILESC=CCOc1ccccc1/C=N/n1nnnc1N
InChIInChI=1S/C11H12N6O/c1-2-7-18-10-6-4-3-5-9(10)8-13-17-11(12)14-15-16-17/h2-6,8H,1,7H2,(H2,12,14,16)/b13-8+
InChIKeyWGBPVJSSBHCWLD-MDWZMJQESA-N
MW244.26 g/mol
LogP0.70
Rot. Bonds5

About 1-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]tetrazol-5-amine

1-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]tetrazol-5-amine (PubChem CID 6872963) has the molecular formula C11H12N6O and a molecular weight of 244.26 g/mol. Its IUPAC name is 1-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]tetrazol-5-amine.

Molecular Properties

Compound Name1-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]tetrazol-5-amine
PubChem CID6872963
Molecular FormulaC11H12N6O
Molecular Weight244.26 g/mol
Exact Mass244.11
IUPAC Name1-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]tetrazol-5-amine
SMILESC=CCOc1ccccc1/C=N/n1nnnc1N
InChIInChI=1S/C11H12N6O/c1-2-7-18-10-6-4-3-5-9(10)8-13-17-11(12)14-15-16-17/h2-6,8H,1,7H2,(H2,12,14,16)/b13-8+
InChIKeyWGBPVJSSBHCWLD-MDWZMJQESA-N
XLogP0.70
TPSA91.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[(E)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]tetrazol-5-amine
CID 6859182
(2-{[(5-amino-1H-tetraazol-1-yl)imino]methyl}-6-methoxyphenoxy)acetonitrile
CID 6873681
[(E)-(2-phenylmethoxyphenyl)methylideneamino]thiourea
CID 5332225
1-[(E)-(2-ethoxyphenyl)methylideneamino]tetrazol-5-amine
CID 6858679
N-(5-amino-1H-tetraazol-1-yl)-N-{2-[(4-chlorobenzyl)oxy]benzylidene}amine
CID 6858755
1-[(E)-(3-methoxyphenyl)methylideneamino]tetrazol-5-amine
CID 6859215
1-[(E)-(2-phenylmethoxyphenyl)methylideneamino]tetrazol-5-amine
CID 5350505
(2Z)-2-[2-(benzyloxy)benzylidene]hydrazinecarbothioamide
CID 5394508
N-(5-amino-1H-tetraazol-1-yl)-N-{3-[(2-chlorobenzyl)oxy]benzylidene}amine
CID 6858757
1-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]tetrazol-5-amine
CID 6858628
N*1*-(3,4-Diethoxy-benzylidene)-tetrazole-1,5-diamine
CID 6858680
1-[(E)-(2,4-dimethoxyphenyl)methylideneamino]tetrazol-5-amine
CID 6859134

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]tetrazol-5-amine?
The IUPAC name of 1-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]tetrazol-5-amine (CID 6872963) is 1-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]tetrazol-5-amine.
What is the SMILES notation for 1-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]tetrazol-5-amine?
The canonical SMILES for 1-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]tetrazol-5-amine is C=CCOc1ccccc1/C=N/n1nnnc1N.
What is the InChIKey of 1-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]tetrazol-5-amine?
The InChIKey is WGBPVJSSBHCWLD-MDWZMJQESA-N. The full InChI is InChI=1S/C11H12N6O/c1-2-7-18-10-6-4-3-5-9(10)8-13-17-11(12)14-15-16-17/h2-6,8H,1,7H2,(H2,12,14,16)/b13-8+.
What are the key properties of 1-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]tetrazol-5-amine?
1-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]tetrazol-5-amine has a molecular weight of 244.26 g/mol, XLogP of 0.70, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]tetrazol-5-amine is sourced from PubChem (CID 6872963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).