1-[(E)-(2-propan-2-yloxyphenyl)methylideneamino]tetrazol-5-amine

C11H14N6O — CID 6858669

IUPAC1-[(E)-(2-propan-2-yloxyphenyl)methylideneamino]tetrazol-5-amine
SMILESCC(C)Oc1ccccc1/C=N/n1nnnc1N
InChIInChI=1S/C11H14N6O/c1-8(2)18-10-6-4-3-5-9(10)7-13-17-11(12)14-15-16-17/h3-8H,1-2H3,(H2,12,14,16)/b13-7+
InChIKeyYXTVASIGMVEVAH-NTUHNPAUSA-N
MW246.27 g/mol
LogP0.92
Rot. Bonds4

About 1-[(E)-(2-propan-2-yloxyphenyl)methylideneamino]tetrazol-5-amine

1-[(E)-(2-propan-2-yloxyphenyl)methylideneamino]tetrazol-5-amine (PubChem CID 6858669) has the molecular formula C11H14N6O and a molecular weight of 246.27 g/mol. Its IUPAC name is 1-[(E)-(2-propan-2-yloxyphenyl)methylideneamino]tetrazol-5-amine.

Molecular Properties

Compound Name1-[(E)-(2-propan-2-yloxyphenyl)methylideneamino]tetrazol-5-amine
PubChem CID6858669
Molecular FormulaC11H14N6O
Molecular Weight246.27 g/mol
Exact Mass246.12
IUPAC Name1-[(E)-(2-propan-2-yloxyphenyl)methylideneamino]tetrazol-5-amine
SMILESCC(C)Oc1ccccc1/C=N/n1nnnc1N
InChIInChI=1S/C11H14N6O/c1-8(2)18-10-6-4-3-5-9(10)7-13-17-11(12)14-15-16-17/h3-8H,1-2H3,(H2,12,14,16)/b13-7+
InChIKeyYXTVASIGMVEVAH-NTUHNPAUSA-N
XLogP0.92
TPSA91.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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
1-[(E)-(3,4-dimethoxyphenyl)methylideneamino]tetrazol-5-amine
CID 6858630
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-N-[(2-ethoxyphenyl)methyl]tetrazole-1,5-diamine
CID 833834
1-[(E)-(2-phenylmethoxyphenyl)methylideneamino]tetrazol-5-amine
CID 5350505
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
{2-[(5-Amino-tetrazol-1-ylimino)-methyl]-phenoxy}-acetonitrile
CID 9592841

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-(2-propan-2-yloxyphenyl)methylideneamino]tetrazol-5-amine?
The IUPAC name of 1-[(E)-(2-propan-2-yloxyphenyl)methylideneamino]tetrazol-5-amine (CID 6858669) is 1-[(E)-(2-propan-2-yloxyphenyl)methylideneamino]tetrazol-5-amine.
What is the SMILES notation for 1-[(E)-(2-propan-2-yloxyphenyl)methylideneamino]tetrazol-5-amine?
The canonical SMILES for 1-[(E)-(2-propan-2-yloxyphenyl)methylideneamino]tetrazol-5-amine is CC(C)Oc1ccccc1/C=N/n1nnnc1N.
What is the InChIKey of 1-[(E)-(2-propan-2-yloxyphenyl)methylideneamino]tetrazol-5-amine?
The InChIKey is YXTVASIGMVEVAH-NTUHNPAUSA-N. The full InChI is InChI=1S/C11H14N6O/c1-8(2)18-10-6-4-3-5-9(10)7-13-17-11(12)14-15-16-17/h3-8H,1-2H3,(H2,12,14,16)/b13-7+.
What are the key properties of 1-[(E)-(2-propan-2-yloxyphenyl)methylideneamino]tetrazol-5-amine?
1-[(E)-(2-propan-2-yloxyphenyl)methylideneamino]tetrazol-5-amine has a molecular weight of 246.27 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-(2-propan-2-yloxyphenyl)methylideneamino]tetrazol-5-amine is sourced from PubChem (CID 6858669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).