N'-[1-(4-ethoxyphenyl)tetrazol-5-yl]-N,N-dimethylmethanimidamide

C12H16N6O — CID 139060495

IUPACN'-[1-(4-ethoxyphenyl)tetrazol-5-yl]-N,N-dimethylmethanimidamide
SMILESCCOc1ccc(-n2nnnc2/N=C/N(C)C)cc1
InChIInChI=1S/C12H16N6O/c1-4-19-11-7-5-10(6-8-11)18-12(14-15-16-18)13-9-17(2)3/h5-9H,4H2,1-3H3/b13-9+
InChIKeySCBAEOBLQPRNQV-UKTHLTGXSA-N
MW260.30 g/mol
LogP1.28
Rot. Bonds5

About N'-[1-(4-ethoxyphenyl)tetrazol-5-yl]-N,N-dimethylmethanimidamide

N'-[1-(4-ethoxyphenyl)tetrazol-5-yl]-N,N-dimethylmethanimidamide (PubChem CID 139060495) has the molecular formula C12H16N6O and a molecular weight of 260.30 g/mol. Its IUPAC name is N'-[1-(4-ethoxyphenyl)tetrazol-5-yl]-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-[1-(4-ethoxyphenyl)tetrazol-5-yl]-N,N-dimethylmethanimidamide
PubChem CID139060495
Molecular FormulaC12H16N6O
Molecular Weight260.30 g/mol
Exact Mass260.14
IUPAC NameN'-[1-(4-ethoxyphenyl)tetrazol-5-yl]-N,N-dimethylmethanimidamide
SMILESCCOc1ccc(-n2nnnc2/N=C/N(C)C)cc1
InChIInChI=1S/C12H16N6O/c1-4-19-11-7-5-10(6-8-11)18-12(14-15-16-18)13-9-17(2)3/h5-9H,4H2,1-3H3/b13-9+
InChIKeySCBAEOBLQPRNQV-UKTHLTGXSA-N
XLogP1.28
TPSA68.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[1-(4-ethoxyphenyl)tetrazol-5-yl]-N,N-dimethylmethanimidamide?
The IUPAC name of N'-[1-(4-ethoxyphenyl)tetrazol-5-yl]-N,N-dimethylmethanimidamide (CID 139060495) is N'-[1-(4-ethoxyphenyl)tetrazol-5-yl]-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-[1-(4-ethoxyphenyl)tetrazol-5-yl]-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-[1-(4-ethoxyphenyl)tetrazol-5-yl]-N,N-dimethylmethanimidamide is CCOc1ccc(-n2nnnc2/N=C/N(C)C)cc1.
What is the InChIKey of N'-[1-(4-ethoxyphenyl)tetrazol-5-yl]-N,N-dimethylmethanimidamide?
The InChIKey is SCBAEOBLQPRNQV-UKTHLTGXSA-N. The full InChI is InChI=1S/C12H16N6O/c1-4-19-11-7-5-10(6-8-11)18-12(14-15-16-18)13-9-17(2)3/h5-9H,4H2,1-3H3/b13-9+.
What are the key properties of N'-[1-(4-ethoxyphenyl)tetrazol-5-yl]-N,N-dimethylmethanimidamide?
N'-[1-(4-ethoxyphenyl)tetrazol-5-yl]-N,N-dimethylmethanimidamide has a molecular weight of 260.30 g/mol, XLogP of 1.28, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(4-ethoxyphenyl)tetrazol-5-yl]-N,N-dimethylmethanimidamide is sourced from PubChem (CID 139060495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).