N-[(E)-(2-methoxy-5-nitrophenyl)methylideneamino]-5H-tetrazol-5-amine

C9H9N7O3 — CID 6872148

IUPACN-[(E)-(2-methoxy-5-nitrophenyl)methylideneamino]-5H-tetrazol-5-amine
SMILESCOc1ccc([N+](=O)[O-])cc1/C=N/NC1N=NN=N1
InChIInChI=1S/C9H9N7O3/c1-19-8-3-2-7(16(17)18)4-6(8)5-10-11-9-12-14-15-13-9/h2-5,9,11H,1H3/b10-5+
InChIKeyUDPZRRFFPXIETK-BJMVGYQFSA-N
MW263.22 g/mol
LogP1.64
Rot. Bonds5

About N-[(E)-(2-methoxy-5-nitrophenyl)methylideneamino]-5H-tetrazol-5-amine

N-[(E)-(2-methoxy-5-nitrophenyl)methylideneamino]-5H-tetrazol-5-amine (PubChem CID 6872148) has the molecular formula C9H9N7O3 and a molecular weight of 263.22 g/mol. Its IUPAC name is N-[(E)-(2-methoxy-5-nitrophenyl)methylideneamino]-5H-tetrazol-5-amine.

Molecular Properties

Compound NameN-[(E)-(2-methoxy-5-nitrophenyl)methylideneamino]-5H-tetrazol-5-amine
PubChem CID6872148
Molecular FormulaC9H9N7O3
Molecular Weight263.22 g/mol
Exact Mass263.08
IUPAC NameN-[(E)-(2-methoxy-5-nitrophenyl)methylideneamino]-5H-tetrazol-5-amine
SMILESCOc1ccc([N+](=O)[O-])cc1/C=N/NC1N=NN=N1
InChIInChI=1S/C9H9N7O3/c1-19-8-3-2-7(16(17)18)4-6(8)5-10-11-9-12-14-15-13-9/h2-5,9,11H,1H3/b10-5+
InChIKeyUDPZRRFFPXIETK-BJMVGYQFSA-N
XLogP1.64
TPSA126.20 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.22
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

[(2-methoxy-5-nitrophenyl)methylideneamino]thiourea
CID 57359197
N-[(Z)-(2-methoxy-5-nitrophenyl)methylideneamino]-4-methylbenzenecarbothioamide
CID 94845840
2-[(2-methoxy-5-nitrophenyl)methylideneamino]guanidine
CID 70180753
1-hydroxy-2-[(E)-(2-methoxy-5-nitrophenyl)methylideneamino]guanidine
CID 139982862
N-[(Z)-(2-methoxy-5-nitrophenyl)methylideneamino]-N'-phenylpyridine-2-carboximidamide
CID 6032239
(E)-3-(2-methoxy-5-nitrophenyl)prop-2-enal
CID 5381132
3-(4-chlorophenyl)sulfanyl-N-[(Z)-(2-methoxy-5-nitrophenyl)methylideneamino]propanamide
CID 8022981
2,4-dinitro-N-[(2,4,5-trimethoxyphenyl)methylideneamino]aniline
CID 5139236
2,4-dinitro-N-[(Z)-(2,4,5-trimethoxyphenyl)methylideneamino]aniline
CID 6282029
3-[(2-methoxy-5-nitrophenyl)methylideneamino]benzoic acid
CID 690081
N-[(2,5-dimethoxyphenyl)methylideneamino]-3-nitrobenzamide
CID 3949968
2-(2-methoxyphenoxy)-5-nitrobenzaldehyde
CID 43113890

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-methoxy-5-nitrophenyl)methylideneamino]-5H-tetrazol-5-amine?
The IUPAC name of N-[(E)-(2-methoxy-5-nitrophenyl)methylideneamino]-5H-tetrazol-5-amine (CID 6872148) is N-[(E)-(2-methoxy-5-nitrophenyl)methylideneamino]-5H-tetrazol-5-amine.
What is the SMILES notation for N-[(E)-(2-methoxy-5-nitrophenyl)methylideneamino]-5H-tetrazol-5-amine?
The canonical SMILES for N-[(E)-(2-methoxy-5-nitrophenyl)methylideneamino]-5H-tetrazol-5-amine is COc1ccc([N+](=O)[O-])cc1/C=N/NC1N=NN=N1.
What is the InChIKey of N-[(E)-(2-methoxy-5-nitrophenyl)methylideneamino]-5H-tetrazol-5-amine?
The InChIKey is UDPZRRFFPXIETK-BJMVGYQFSA-N. The full InChI is InChI=1S/C9H9N7O3/c1-19-8-3-2-7(16(17)18)4-6(8)5-10-11-9-12-14-15-13-9/h2-5,9,11H,1H3/b10-5+.
What are the key properties of N-[(E)-(2-methoxy-5-nitrophenyl)methylideneamino]-5H-tetrazol-5-amine?
N-[(E)-(2-methoxy-5-nitrophenyl)methylideneamino]-5H-tetrazol-5-amine has a molecular weight of 263.22 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-methoxy-5-nitrophenyl)methylideneamino]-5H-tetrazol-5-amine is sourced from PubChem (CID 6872148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).