carbanide;2-methoxy-3-(2-methyltetrazol-5-yl)aniline;5-(2-methoxy-3-nitrophenyl)-2-methyltetrazole;palladium

C19H23N10O4Pd- — CID 158623427

IUPACcarbanide;2-methoxy-3-(2-methyltetrazol-5-yl)aniline;5-(2-methoxy-3-nitrophenyl)-2-methyltetrazole;palladium
SMILESCOc1c(-c2nnn(C)n2)cccc1[N+](=O)[O-].COc1c(N)cccc1-c1nnn(C)n1.[CH3-].[Pd]
InChIInChI=1S/C9H9N5O3.C9H11N5O.CH3.Pd/c1-13-11-9(10-12-13)6-4-3-5-7(14(15)16)8(6)17-2;1-14-12-9(11-13-14)6-4-3-5-7(10)8(6)15-2;;/h3-5H,1-2H3;3-5H,10H2,1-2H3;1H3;/q;;-1;
InChIKeyLZMNHMXXWYHKIM-UHFFFAOYSA-N
MW561.88 g/mol
LogP1.71
Rot. Bonds5

About carbanide;2-methoxy-3-(2-methyltetrazol-5-yl)aniline;5-(2-methoxy-3-nitrophenyl)-2-methyltetrazole;palladium

carbanide;2-methoxy-3-(2-methyltetrazol-5-yl)aniline;5-(2-methoxy-3-nitrophenyl)-2-methyltetrazole;palladium (PubChem CID 158623427) has the molecular formula C19H23N10O4Pd- and a molecular weight of 561.88 g/mol. Its IUPAC name is carbanide;2-methoxy-3-(2-methyltetrazol-5-yl)aniline;5-(2-methoxy-3-nitrophenyl)-2-methyltetrazole;palladium.

Molecular Properties

Compound Namecarbanide;2-methoxy-3-(2-methyltetrazol-5-yl)aniline;5-(2-methoxy-3-nitrophenyl)-2-methyltetrazole;palladium
PubChem CID158623427
Molecular FormulaC19H23N10O4Pd-
Molecular Weight561.88 g/mol
Exact Mass561.09
IUPAC Namecarbanide;2-methoxy-3-(2-methyltetrazol-5-yl)aniline;5-(2-methoxy-3-nitrophenyl)-2-methyltetrazole;palladium
SMILESCOc1c(-c2nnn(C)n2)cccc1[N+](=O)[O-].COc1c(N)cccc1-c1nnn(C)n1.[CH3-].[Pd]
InChIInChI=1S/C9H9N5O3.C9H11N5O.CH3.Pd/c1-13-11-9(10-12-13)6-4-3-5-7(14(15)16)8(6)17-2;1-14-12-9(11-13-14)6-4-3-5-7(10)8(6)15-2;;/h3-5H,1-2H3;3-5H,10H2,1-2H3;1H3;/q;;-1;
InChIKeyLZMNHMXXWYHKIM-UHFFFAOYSA-N
XLogP1.71
TPSA174.82 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.88
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', '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-(3-amino-2-methoxyphenyl)-2-methylfuran-3-carboxylic acid;5-(2-methoxy-3-nitrophenyl)-2-methylfuran-3-carboxylic acid
CID 159745020
1-methyl-3-[3-nitro-2-(trideuteriomethoxy)phenyl]-1,2,4-triazole
CID 151375911
5-(2-methoxy-3-nitrophenyl)-1-methyl-1,2,4-triazole
CID 90142163
4-(3-amino-2-methoxyphenyl)thiophene-2-carboxylic acid;4-(2-methoxy-3-nitrophenyl)thiophene-2-carboxylic acid
CID 158634865
1-(2,2-difluoroethyl)-3-(2-methoxy-3-nitrophenyl)-1,2,4-triazole
CID 170439732
2-[2-[3-methoxy-4-nitro-2-(2H-tetrazol-5-yl)phenyl]ethoxy]-3-(1-methyltetrazol-5-yl)aniline
CID 163793153
2-(1-chloroethyl)-5-(2-methoxy-3-nitrophenyl)-1,3,4-thiadiazole
CID 113386736
4-(2-methoxy-3-nitrophenyl)benzaldehyde
CID 57483828
2-[4-(2-methoxy-3-nitrophenyl)phenyl]-4,5-dihydro-1H-imidazole
CID 59615691
1-(2-methoxy-3-nitrophenyl)pyrazole
CID 90135701
4-(2-methoxy-3-nitrophenyl)-2,5-dimethyl-1,3-oxazole
CID 166130645
potassium 2-methoxy-3-nitrophenol
CID 67083613

Frequently Asked Questions

What is the IUPAC name of carbanide;2-methoxy-3-(2-methyltetrazol-5-yl)aniline;5-(2-methoxy-3-nitrophenyl)-2-methyltetrazole;palladium?
The IUPAC name of carbanide;2-methoxy-3-(2-methyltetrazol-5-yl)aniline;5-(2-methoxy-3-nitrophenyl)-2-methyltetrazole;palladium (CID 158623427) is carbanide;2-methoxy-3-(2-methyltetrazol-5-yl)aniline;5-(2-methoxy-3-nitrophenyl)-2-methyltetrazole;palladium.
What is the SMILES notation for carbanide;2-methoxy-3-(2-methyltetrazol-5-yl)aniline;5-(2-methoxy-3-nitrophenyl)-2-methyltetrazole;palladium?
The canonical SMILES for carbanide;2-methoxy-3-(2-methyltetrazol-5-yl)aniline;5-(2-methoxy-3-nitrophenyl)-2-methyltetrazole;palladium is COc1c(-c2nnn(C)n2)cccc1[N+](=O)[O-].COc1c(N)cccc1-c1nnn(C)n1.[CH3-].[Pd].
What is the InChIKey of carbanide;2-methoxy-3-(2-methyltetrazol-5-yl)aniline;5-(2-methoxy-3-nitrophenyl)-2-methyltetrazole;palladium?
The InChIKey is LZMNHMXXWYHKIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O3.C9H11N5O.CH3.Pd/c1-13-11-9(10-12-13)6-4-3-5-7(14(15)16)8(6)17-2;1-14-12-9(11-13-14)6-4-3-5-7(10)8(6)15-2;;/h3-5H,1-2H3;3-5H,10H2,1-2H3;1H3;/q;;-1;.
What are the key properties of carbanide;2-methoxy-3-(2-methyltetrazol-5-yl)aniline;5-(2-methoxy-3-nitrophenyl)-2-methyltetrazole;palladium?
carbanide;2-methoxy-3-(2-methyltetrazol-5-yl)aniline;5-(2-methoxy-3-nitrophenyl)-2-methyltetrazole;palladium has a molecular weight of 561.88 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;2-methoxy-3-(2-methyltetrazol-5-yl)aniline;5-(2-methoxy-3-nitrophenyl)-2-methyltetrazole;palladium is sourced from PubChem (CID 158623427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).