6-azido-N-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methyl]pyridazin-4-amine;5-N-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methyl]pyridazine-3,5-diamine

C36H54N10O2Si2 — CID 175600622

IUPAC6-azido-N-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methyl]pyridazin-4-amine;5-N-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methyl]pyridazine-3,5-diamine
SMILESCC(C)(C)[Si](C)(C)OCc1ccc(CNc2cnnc(N)c2)cc1.CC(C)(C)[Si](C)(C)OCc1ccc(CNc2cnnc(N=[N+]=[N-])c2)cc1
InChIInChI=1S/C18H26N6OSi.C18H28N4OSi/c1-18(2,3)26(4,5)25-13-15-8-6-14(7-9-15)11-20-16-10-17(23-24-19)22-21-12-16;1-18(2,3)24(4,5)23-13-15-8-6-14(7-9-15)11-20-16-10-17(19)22-21-12-16/h6-10,12H,11,13H2,1-5H3,(H,20,22);6-10,12H,11,13H2,1-5H3,(H3,19,20,22)
InChIKeyKUUAOLOAKUJVJE-UHFFFAOYSA-N
MW715.07 g/mol
LogP9.74
Rot. Bonds13

About 6-azido-N-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methyl]pyridazin-4-amine;5-N-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methyl]pyridazine-3,5-diamine

6-azido-N-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methyl]pyridazin-4-amine;5-N-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methyl]pyridazine-3,5-diamine (PubChem CID 175600622) has the molecular formula C36H54N10O2Si2 and a molecular weight of 715.07 g/mol. Its IUPAC name is 6-azido-N-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methyl]pyridazin-4-amine;5-N-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methyl]pyridazine-3,5-diamine.

Molecular Properties

Compound Name6-azido-N-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methyl]pyridazin-4-amine;5-N-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methyl]pyridazine-3,5-diamine
PubChem CID175600622
Molecular FormulaC36H54N10O2Si2
Molecular Weight715.07 g/mol
Exact Mass714.40
IUPAC Name6-azido-N-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methyl]pyridazin-4-amine;5-N-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methyl]pyridazine-3,5-diamine
SMILESCC(C)(C)[Si](C)(C)OCc1ccc(CNc2cnnc(N)c2)cc1.CC(C)(C)[Si](C)(C)OCc1ccc(CNc2cnnc(N=[N+]=[N-])c2)cc1
InChIInChI=1S/C18H26N6OSi.C18H28N4OSi/c1-18(2,3)26(4,5)25-13-15-8-6-14(7-9-15)11-20-16-10-17(23-24-19)22-21-12-16;1-18(2,3)24(4,5)23-13-15-8-6-14(7-9-15)11-20-16-10-17(19)22-21-12-16/h6-10,12H,11,13H2,1-5H3,(H,20,22);6-10,12H,11,13H2,1-5H3,(H3,19,20,22)
InChIKeyKUUAOLOAKUJVJE-UHFFFAOYSA-N
XLogP9.74
TPSA168.86 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds13
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500715.07
LogP ≤ 59.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-azido-N-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methyl]pyridazin-4-amine;5-N-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methyl]pyridazine-3,5-diamine?
The IUPAC name of 6-azido-N-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methyl]pyridazin-4-amine;5-N-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methyl]pyridazine-3,5-diamine (CID 175600622) is 6-azido-N-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methyl]pyridazin-4-amine;5-N-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methyl]pyridazine-3,5-diamine.
What is the SMILES notation for 6-azido-N-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methyl]pyridazin-4-amine;5-N-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methyl]pyridazine-3,5-diamine?
The canonical SMILES for 6-azido-N-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methyl]pyridazin-4-amine;5-N-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methyl]pyridazine-3,5-diamine is CC(C)(C)[Si](C)(C)OCc1ccc(CNc2cnnc(N)c2)cc1.CC(C)(C)[Si](C)(C)OCc1ccc(CNc2cnnc(N=[N+]=[N-])c2)cc1.
What is the InChIKey of 6-azido-N-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methyl]pyridazin-4-amine;5-N-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methyl]pyridazine-3,5-diamine?
The InChIKey is KUUAOLOAKUJVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6OSi.C18H28N4OSi/c1-18(2,3)26(4,5)25-13-15-8-6-14(7-9-15)11-20-16-10-17(23-24-19)22-21-12-16;1-18(2,3)24(4,5)23-13-15-8-6-14(7-9-15)11-20-16-10-17(19)22-21-12-16/h6-10,12H,11,13H2,1-5H3,(H,20,22);6-10,12H,11,13H2,1-5H3,(H3,19,20,22).
What are the key properties of 6-azido-N-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methyl]pyridazin-4-amine;5-N-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methyl]pyridazine-3,5-diamine?
6-azido-N-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methyl]pyridazin-4-amine;5-N-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methyl]pyridazine-3,5-diamine has a molecular weight of 715.07 g/mol, XLogP of 9.74, 13 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-azido-N-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methyl]pyridazin-4-amine;5-N-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methyl]pyridazine-3,5-diamine is sourced from PubChem (CID 175600622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).