N-[1-(3,4-dimethoxyphenyl)ethylideneamino]-2H-tetrazol-5-amine

C11H14N6O2 — CID 5035855

IUPACN-[1-(3,4-dimethoxyphenyl)ethylideneamino]-2H-tetrazol-5-amine
SMILESCOc1ccc(C(C)=NNc2nn[nH]n2)cc1OC
InChIInChI=1S/C11H14N6O2/c1-7(12-13-11-14-16-17-15-11)8-4-5-9(18-2)10(6-8)19-3/h4-6H,1-3H3,(H2,13,14,15,16,17)
InChIKeyYZHVKSRBJXUFNV-UHFFFAOYSA-N
MW262.27 g/mol
LogP1.05
Rot. Bonds5

About N-[1-(3,4-dimethoxyphenyl)ethylideneamino]-2H-tetrazol-5-amine

N-[1-(3,4-dimethoxyphenyl)ethylideneamino]-2H-tetrazol-5-amine (PubChem CID 5035855) has the molecular formula C11H14N6O2 and a molecular weight of 262.27 g/mol. Its IUPAC name is N-[1-(3,4-dimethoxyphenyl)ethylideneamino]-2H-tetrazol-5-amine.

Molecular Properties

Compound NameN-[1-(3,4-dimethoxyphenyl)ethylideneamino]-2H-tetrazol-5-amine
PubChem CID5035855
Molecular FormulaC11H14N6O2
Molecular Weight262.27 g/mol
Exact Mass262.12
IUPAC NameN-[1-(3,4-dimethoxyphenyl)ethylideneamino]-2H-tetrazol-5-amine
SMILESCOc1ccc(C(C)=NNc2nn[nH]n2)cc1OC
InChIInChI=1S/C11H14N6O2/c1-7(12-13-11-14-16-17-15-11)8-4-5-9(18-2)10(6-8)19-3/h4-6H,1-3H3,(H2,13,14,15,16,17)
InChIKeyYZHVKSRBJXUFNV-UHFFFAOYSA-N
XLogP1.05
TPSA97.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[1-(3,4,5-trimethoxyphenyl)ethylideneamino]-2H-tetrazol-5-amine
CID 4985798
N-[(3,4-dimethoxyphenyl)methylideneamino]-2H-tetrazol-5-amine
CID 2829078
N-[(E)-(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]-2H-tetrazol-5-amine
CID 19617455
[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]thiourea
CID 5355637
3-benzylsulfanyl-N-[(E)-1-(3,4-dimethoxyphenyl)ethylideneamino]-1H-1,2,4-triazol-5-amine
CID 7913991
N-[1-(3,4-dimethoxyphenyl)ethylideneamino]-4-fluorobenzamide
CID 3543843
N,N'-bis[1-(3,4-dimethoxyphenyl)ethylideneamino]octanediamide
CID 5058567
2-[[4-amino-5-[(2E)-2-[1-(3,4-dimethoxyphenyl)ethylidene]hydrazinyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(4-fluorophenyl)acetamide
CID 17074879
2-cyano-N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]acetamide
CID 92664451
3-chloro-N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-5-(trifluoromethyl)pyridin-2-amine
CID 9217023
2-[[4-amino-5-[(2E)-2-(1-naphthalen-2-ylethylidene)hydrazinyl]-1,2,4-triazol-3-yl]sulfanyl]-1-(3,4-dimethoxyphenyl)ethanone
CID 17076417
5-tert-butyl-N-[1-(3,4-dimethoxyphenyl)ethylideneamino]-1H-pyrazole-3-carboxamide
CID 681554

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethoxyphenyl)ethylideneamino]-2H-tetrazol-5-amine?
The IUPAC name of N-[1-(3,4-dimethoxyphenyl)ethylideneamino]-2H-tetrazol-5-amine (CID 5035855) is N-[1-(3,4-dimethoxyphenyl)ethylideneamino]-2H-tetrazol-5-amine.
What is the SMILES notation for N-[1-(3,4-dimethoxyphenyl)ethylideneamino]-2H-tetrazol-5-amine?
The canonical SMILES for N-[1-(3,4-dimethoxyphenyl)ethylideneamino]-2H-tetrazol-5-amine is COc1ccc(C(C)=NNc2nn[nH]n2)cc1OC.
What is the InChIKey of N-[1-(3,4-dimethoxyphenyl)ethylideneamino]-2H-tetrazol-5-amine?
The InChIKey is YZHVKSRBJXUFNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O2/c1-7(12-13-11-14-16-17-15-11)8-4-5-9(18-2)10(6-8)19-3/h4-6H,1-3H3,(H2,13,14,15,16,17).
What are the key properties of N-[1-(3,4-dimethoxyphenyl)ethylideneamino]-2H-tetrazol-5-amine?
N-[1-(3,4-dimethoxyphenyl)ethylideneamino]-2H-tetrazol-5-amine has a molecular weight of 262.27 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethoxyphenyl)ethylideneamino]-2H-tetrazol-5-amine is sourced from PubChem (CID 5035855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).