N-[(4-nitrophenyl)methyl]tetrazolo[1,5-b]pyridazin-6-amine

C11H9N7O2 — CID 47283216

IUPACN-[(4-nitrophenyl)methyl]tetrazolo[1,5-b]pyridazin-6-amine
SMILESO=[N+]([O-])c1ccc(CNc2ccc3nnnn3n2)cc1
InChIInChI=1S/C11H9N7O2/c19-18(20)9-3-1-8(2-4-9)7-12-10-5-6-11-13-15-16-17(11)14-10/h1-6H,7H2,(H,12,14)
InChIKeyXMGSTXTZDNUYKN-UHFFFAOYSA-N
MW271.24 g/mol
LogP1.04
Rot. Bonds4

About N-[(4-nitrophenyl)methyl]tetrazolo[1,5-b]pyridazin-6-amine

N-[(4-nitrophenyl)methyl]tetrazolo[1,5-b]pyridazin-6-amine (PubChem CID 47283216) has the molecular formula C11H9N7O2 and a molecular weight of 271.24 g/mol. Its IUPAC name is N-[(4-nitrophenyl)methyl]tetrazolo[1,5-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-[(4-nitrophenyl)methyl]tetrazolo[1,5-b]pyridazin-6-amine
PubChem CID47283216
Molecular FormulaC11H9N7O2
Molecular Weight271.24 g/mol
Exact Mass271.08
IUPAC NameN-[(4-nitrophenyl)methyl]tetrazolo[1,5-b]pyridazin-6-amine
SMILESO=[N+]([O-])c1ccc(CNc2ccc3nnnn3n2)cc1
InChIInChI=1S/C11H9N7O2/c19-18(20)9-3-1-8(2-4-9)7-12-10-5-6-11-13-15-16-17(11)14-10/h1-6H,7H2,(H,12,14)
InChIKeyXMGSTXTZDNUYKN-UHFFFAOYSA-N
XLogP1.04
TPSA111.14 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.24
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-6-[(4-nitrophenyl)methylamino]pyridazine-3-carboxamide
CID 79211637
N-[(2-methyltetrazol-5-yl)methyl]-1-(4-nitrophenyl)methanamine
CID 107042182
5-bromo-6-methyl-N-[(4-nitrophenyl)methyl]pyridin-2-amine
CID 103934170
4-methyl-N-[(4-nitrophenyl)methyl]aniline
CID 1132994
N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 166217980
3-nitro-N-[(4-nitrophenyl)methyl]aniline
CID 9274128
2,3,5,6-tetrafluoro-N-[(4-nitrophenyl)methyl]aniline
CID 107643575
N-hexyltetrazolo[1,5-b]pyridazin-6-amine
CID 52547064
2,5-dimethyl-N-[(4-nitrophenyl)methyl]aniline
CID 1133059
2-(4-methyl-1,2,4-triazol-3-yl)-N-[(4-nitrophenyl)methyl]ethanamine
CID 63329034
2-methyl-6-[(4-nitrophenyl)methylamino]pyridine-4-carbonitrile
CID 114769705
4-nitro-N-(pyridin-4-ylmethyl)aniline
CID 3927656

Frequently Asked Questions

What is the IUPAC name of N-[(4-nitrophenyl)methyl]tetrazolo[1,5-b]pyridazin-6-amine?
The IUPAC name of N-[(4-nitrophenyl)methyl]tetrazolo[1,5-b]pyridazin-6-amine (CID 47283216) is N-[(4-nitrophenyl)methyl]tetrazolo[1,5-b]pyridazin-6-amine.
What is the SMILES notation for N-[(4-nitrophenyl)methyl]tetrazolo[1,5-b]pyridazin-6-amine?
The canonical SMILES for N-[(4-nitrophenyl)methyl]tetrazolo[1,5-b]pyridazin-6-amine is O=[N+]([O-])c1ccc(CNc2ccc3nnnn3n2)cc1.
What is the InChIKey of N-[(4-nitrophenyl)methyl]tetrazolo[1,5-b]pyridazin-6-amine?
The InChIKey is XMGSTXTZDNUYKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N7O2/c19-18(20)9-3-1-8(2-4-9)7-12-10-5-6-11-13-15-16-17(11)14-10/h1-6H,7H2,(H,12,14).
What are the key properties of N-[(4-nitrophenyl)methyl]tetrazolo[1,5-b]pyridazin-6-amine?
N-[(4-nitrophenyl)methyl]tetrazolo[1,5-b]pyridazin-6-amine has a molecular weight of 271.24 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-nitrophenyl)methyl]tetrazolo[1,5-b]pyridazin-6-amine is sourced from PubChem (CID 47283216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).