2H-tetrazol-5-yl-[(Z)-(2,4,5-trimethoxyphenyl)methylideneamino]azanide

C11H13N6O3- — CID 135763845

IUPAC2H-tetrazol-5-yl-[(Z)-(2,4,5-trimethoxyphenyl)methylideneamino]azanide
SMILESCOc1cc(OC)c(OC)cc1/C=N\[N-]c1nn[nH]n1
InChIInChI=1S/C11H13N6O3/c1-18-8-5-10(20-3)9(19-2)4-7(8)6-12-13-11-14-16-17-15-11/h4-6H,1-3H3,(H-,13,14,15,16,17)/q-1/b12-6-
InChIKeyZNDOKLQXSLLAGA-SDQBBNPISA-N
MW277.26 g/mol
LogP1.26
Rot. Bonds6

About 2H-tetrazol-5-yl-[(Z)-(2,4,5-trimethoxyphenyl)methylideneamino]azanide

2H-tetrazol-5-yl-[(Z)-(2,4,5-trimethoxyphenyl)methylideneamino]azanide (PubChem CID 135763845) has the molecular formula C11H13N6O3- and a molecular weight of 277.26 g/mol. Its IUPAC name is 2H-tetrazol-5-yl-[(Z)-(2,4,5-trimethoxyphenyl)methylideneamino]azanide.

Molecular Properties

Compound Name2H-tetrazol-5-yl-[(Z)-(2,4,5-trimethoxyphenyl)methylideneamino]azanide
PubChem CID135763845
Molecular FormulaC11H13N6O3-
Molecular Weight277.26 g/mol
Exact Mass277.11
IUPAC Name2H-tetrazol-5-yl-[(Z)-(2,4,5-trimethoxyphenyl)methylideneamino]azanide
SMILESCOc1cc(OC)c(OC)cc1/C=N\[N-]c1nn[nH]n1
InChIInChI=1S/C11H13N6O3/c1-18-8-5-10(20-3)9(19-2)4-7(8)6-12-13-11-14-16-17-15-11/h4-6H,1-3H3,(H-,13,14,15,16,17)/q-1/b12-6-
InChIKeyZNDOKLQXSLLAGA-SDQBBNPISA-N
XLogP1.26
TPSA108.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.26
LogP ≤ 51.26
H-Bond Donors ≤ 51
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

[(Z)-[4-(diethylamino)phenyl]methylideneamino]-(2H-tetrazol-5-yl)azanide
CID 135737239
[(Z)-(4-nitrophenyl)methylideneamino]-(2H-tetrazol-5-yl)azanide
CID 135708218
N-methyl-N-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]methanamine
CID 71536298
3-ethyl-4-[(Z)-(2,4,5-trimethoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
CID 9316401
N-[(3,4-dimethoxyphenyl)methylideneamino]-2H-tetrazol-5-amine
CID 2829078
[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]thiourea
CID 7575205
N-[(2,4,5-trimethoxyphenyl)methyl]-2H-tetrazol-5-amine
CID 4726696
2-[2-[(2,4,5-trimethoxyphenyl)methylidene]hydrazinyl]ethanol
CID 110840063
[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-(2H-tetrazol-5-yl)azanide
CID 135789056
1-hydroxy-2-[(2,4,5-trimethoxyphenyl)methylideneamino]guanidine
CID 5494118
3-[(2E)-2-[(2,4,5-trimethoxyphenyl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one
CID 136733711
(Z)-N-(3-ethyl-5-methylsulfanyl-1,2,4-triazol-4-yl)-1-(2,4,5-trimethoxyphenyl)methanimine
CID 110521819

Frequently Asked Questions

What is the IUPAC name of 2H-tetrazol-5-yl-[(Z)-(2,4,5-trimethoxyphenyl)methylideneamino]azanide?
The IUPAC name of 2H-tetrazol-5-yl-[(Z)-(2,4,5-trimethoxyphenyl)methylideneamino]azanide (CID 135763845) is 2H-tetrazol-5-yl-[(Z)-(2,4,5-trimethoxyphenyl)methylideneamino]azanide.
What is the SMILES notation for 2H-tetrazol-5-yl-[(Z)-(2,4,5-trimethoxyphenyl)methylideneamino]azanide?
The canonical SMILES for 2H-tetrazol-5-yl-[(Z)-(2,4,5-trimethoxyphenyl)methylideneamino]azanide is COc1cc(OC)c(OC)cc1/C=N\[N-]c1nn[nH]n1.
What is the InChIKey of 2H-tetrazol-5-yl-[(Z)-(2,4,5-trimethoxyphenyl)methylideneamino]azanide?
The InChIKey is ZNDOKLQXSLLAGA-SDQBBNPISA-N. The full InChI is InChI=1S/C11H13N6O3/c1-18-8-5-10(20-3)9(19-2)4-7(8)6-12-13-11-14-16-17-15-11/h4-6H,1-3H3,(H-,13,14,15,16,17)/q-1/b12-6-.
What are the key properties of 2H-tetrazol-5-yl-[(Z)-(2,4,5-trimethoxyphenyl)methylideneamino]azanide?
2H-tetrazol-5-yl-[(Z)-(2,4,5-trimethoxyphenyl)methylideneamino]azanide has a molecular weight of 277.26 g/mol, XLogP of 1.26, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-tetrazol-5-yl-[(Z)-(2,4,5-trimethoxyphenyl)methylideneamino]azanide is sourced from PubChem (CID 135763845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).