1-[(4-chloro-3-nitrophenyl)methylideneamino]tetrazol-5-amine

C8H6ClN7O2 — CID 1232797

IUPAC1-[(4-chloro-3-nitrophenyl)methylideneamino]tetrazol-5-amine
SMILESNc1nnnn1N=Cc1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C8H6ClN7O2/c9-6-2-1-5(3-7(6)16(17)18)4-11-15-8(10)12-13-14-15/h1-4H,(H2,10,12,14)
InChIKeyNMEGICJUPKNWMH-UHFFFAOYSA-N
MW267.64 g/mol
LogP0.70
Rot. Bonds3

About 1-[(4-chloro-3-nitrophenyl)methylideneamino]tetrazol-5-amine

1-[(4-chloro-3-nitrophenyl)methylideneamino]tetrazol-5-amine (PubChem CID 1232797) has the molecular formula C8H6ClN7O2 and a molecular weight of 267.64 g/mol. Its IUPAC name is 1-[(4-chloro-3-nitrophenyl)methylideneamino]tetrazol-5-amine.

Molecular Properties

Compound Name1-[(4-chloro-3-nitrophenyl)methylideneamino]tetrazol-5-amine
PubChem CID1232797
Molecular FormulaC8H6ClN7O2
Molecular Weight267.64 g/mol
Exact Mass267.03
IUPAC Name1-[(4-chloro-3-nitrophenyl)methylideneamino]tetrazol-5-amine
SMILESNc1nnnn1N=Cc1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C8H6ClN7O2/c9-6-2-1-5(3-7(6)16(17)18)4-11-15-8(10)12-13-14-15/h1-4H,(H2,10,12,14)
InChIKeyNMEGICJUPKNWMH-UHFFFAOYSA-N
XLogP0.70
TPSA125.12 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.64
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

5-(4-Chloro-3-nitrophenyl)-1,3,4-thiadiazol-2-amine
CID 803231
Hydrazinecarboximidamide, 2-((4-chloro-3-nitrophenyl)methylene)-
CID 9560225
5-amino-1-({4-chloro-3-nitrobenzylidene}amino)-1H-tetraazole
CID 5455832
5-amino-1-({3-nitro-4-methylbenzylidene}amino)-1H-tetraazole
CID 6858688
3-N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]-1,2,4-triazole-3,4-diamine;hydrochloride
CID 56642914
1-[(E)-(4-chloro-3-nitro-phenyl)methyleneamino]-3-hydroxy-guanidine
CID 9578799
2-[(4-Chlorophenyl)methyl]-5-(3-nitrophenyl)tetrazole
CID 2730583
5-(4-Chloro-2-fluoro-5-nitrophenyl)-2-cyclopropyltetrazole
CID 178043560
2-[(4-Chloro-3-nitrophenyl)methylideneamino]guanidine
CID 190421
2-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]guanidine;hydrochloride
CID 24187885
4-chloro-3-nitrobenzaldehyde (4-amino-4H-1,2,4-triazol-3-yl)hydrazone
CID 9626543
2-[(4-Chloro-2-fluoro-5-nitrophenyl)methylideneamino]guanidine
CID 168591046

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-3-nitrophenyl)methylideneamino]tetrazol-5-amine?
The IUPAC name of 1-[(4-chloro-3-nitrophenyl)methylideneamino]tetrazol-5-amine (CID 1232797) is 1-[(4-chloro-3-nitrophenyl)methylideneamino]tetrazol-5-amine.
What is the SMILES notation for 1-[(4-chloro-3-nitrophenyl)methylideneamino]tetrazol-5-amine?
The canonical SMILES for 1-[(4-chloro-3-nitrophenyl)methylideneamino]tetrazol-5-amine is Nc1nnnn1N=Cc1ccc(Cl)c([N+](=O)[O-])c1.
What is the InChIKey of 1-[(4-chloro-3-nitrophenyl)methylideneamino]tetrazol-5-amine?
The InChIKey is NMEGICJUPKNWMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClN7O2/c9-6-2-1-5(3-7(6)16(17)18)4-11-15-8(10)12-13-14-15/h1-4H,(H2,10,12,14).
What are the key properties of 1-[(4-chloro-3-nitrophenyl)methylideneamino]tetrazol-5-amine?
1-[(4-chloro-3-nitrophenyl)methylideneamino]tetrazol-5-amine has a molecular weight of 267.64 g/mol, XLogP of 0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloro-3-nitrophenyl)methylideneamino]tetrazol-5-amine is sourced from PubChem (CID 1232797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).