N'-[2-[6,7-dichloro-3-[(6-chloropyridazin-3-yl)amino]-9H-carbazol-1-yl]ethyl]methanimidamide

C19H15Cl3N6 — CID 171793856

IUPACN'-[2-[6,7-dichloro-3-[(6-chloropyridazin-3-yl)amino]-9H-carbazol-1-yl]ethyl]methanimidamide
SMILESN/C=N/CCc1cc(Nc2ccc(Cl)nn2)cc2c1[nH]c1cc(Cl)c(Cl)cc12
InChIInChI=1S/C19H15Cl3N6/c20-14-7-12-13-6-11(25-18-2-1-17(22)27-28-18)5-10(3-4-24-9-23)19(13)26-16(12)8-15(14)21/h1-2,5-9,26H,3-4H2,(H2,23,24)(H,25,28)
InChIKeyPRIIGTQEJSPVJW-UHFFFAOYSA-N
MW433.73 g/mol
LogP5.34
Rot. Bonds5

About N'-[2-[6,7-dichloro-3-[(6-chloropyridazin-3-yl)amino]-9H-carbazol-1-yl]ethyl]methanimidamide

N'-[2-[6,7-dichloro-3-[(6-chloropyridazin-3-yl)amino]-9H-carbazol-1-yl]ethyl]methanimidamide (PubChem CID 171793856) has the molecular formula C19H15Cl3N6 and a molecular weight of 433.73 g/mol. Its IUPAC name is N'-[2-[6,7-dichloro-3-[(6-chloropyridazin-3-yl)amino]-9H-carbazol-1-yl]ethyl]methanimidamide.

Molecular Properties

Compound NameN'-[2-[6,7-dichloro-3-[(6-chloropyridazin-3-yl)amino]-9H-carbazol-1-yl]ethyl]methanimidamide
PubChem CID171793856
Molecular FormulaC19H15Cl3N6
Molecular Weight433.73 g/mol
Exact Mass432.04
IUPAC NameN'-[2-[6,7-dichloro-3-[(6-chloropyridazin-3-yl)amino]-9H-carbazol-1-yl]ethyl]methanimidamide
SMILESN/C=N/CCc1cc(Nc2ccc(Cl)nn2)cc2c1[nH]c1cc(Cl)c(Cl)cc12
InChIInChI=1S/C19H15Cl3N6/c20-14-7-12-13-6-11(25-18-2-1-17(22)27-28-18)5-10(3-4-24-9-23)19(13)26-16(12)8-15(14)21/h1-2,5-9,26H,3-4H2,(H2,23,24)(H,25,28)
InChIKeyPRIIGTQEJSPVJW-UHFFFAOYSA-N
XLogP5.34
TPSA91.98 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.73
LogP ≤ 55.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

5,6-dichloro-N-[(E)-1H-indol-3-ylmethylideneamino]quinolin-2-amine
CID 142158083
5,6-dichloro-2-(4-phenylpiperidin-1-yl)-1H-indole
CID 163847569
N'-[2-[6-chloro-3-(3,4-dichloroanilino)-9H-carbazol-1-yl]ethyl]methanimidamide;methylcyanamide
CID 171793170
tert-butyl N-[2-[6,7-dichloro-3-[(6-chloropyridazin-3-yl)amino]-9H-carbazol-1-yl]ethyl]carbamate
CID 171793172
1-(2-aminoethyl)-6-chloro-N-(4,5-dichloro-2-pyridinyl)-9H-carbazol-3-amine
CID 171793183
N'-[2-[6,7-dichloro-3-(4-chloroanilino)-9H-carbazol-1-yl]ethyl]methanimidamide;ethane;methanamine
CID 171793288
N'-[2-[6,7-dichloro-3-(4-chloroanilino)-9H-carbazol-1-yl]ethyl]methanimidamide
CID 171793289
3,4-dichloro-N'-[6-chloro-1-[2-(diaminomethylideneamino)ethyl]-9H-carbazol-3-yl]benzenecarboximidamide
CID 171793383
6-chloro-N-(3,4-dichlorophenyl)-1-[2-(methylamino)ethyl]-9H-carbazol-3-amine;N'-cyanomethanimidamide
CID 171793433
2-[3-[6-chloro-3-(3,4-dichloroanilino)-9H-carbazol-1-yl]propyl]guanidine
CID 171793439
4-chloro-N'-[6-chloro-1-[2-(methyliminomethylamino)ethyl]-9H-carbazol-3-yl]benzenecarboximidamide;methanamine
CID 171793505
(1E,3E)-4-chloro-1-N'-[6,7-dichloro-1-[2-(methylamino)ethyl]-9H-carbazol-3-yl]buta-1,3-diene-1,1,4-triamine;methanimidamide
CID 171793529

Frequently Asked Questions

What is the IUPAC name of N'-[2-[6,7-dichloro-3-[(6-chloropyridazin-3-yl)amino]-9H-carbazol-1-yl]ethyl]methanimidamide?
The IUPAC name of N'-[2-[6,7-dichloro-3-[(6-chloropyridazin-3-yl)amino]-9H-carbazol-1-yl]ethyl]methanimidamide (CID 171793856) is N'-[2-[6,7-dichloro-3-[(6-chloropyridazin-3-yl)amino]-9H-carbazol-1-yl]ethyl]methanimidamide.
What is the SMILES notation for N'-[2-[6,7-dichloro-3-[(6-chloropyridazin-3-yl)amino]-9H-carbazol-1-yl]ethyl]methanimidamide?
The canonical SMILES for N'-[2-[6,7-dichloro-3-[(6-chloropyridazin-3-yl)amino]-9H-carbazol-1-yl]ethyl]methanimidamide is N/C=N/CCc1cc(Nc2ccc(Cl)nn2)cc2c1[nH]c1cc(Cl)c(Cl)cc12.
What is the InChIKey of N'-[2-[6,7-dichloro-3-[(6-chloropyridazin-3-yl)amino]-9H-carbazol-1-yl]ethyl]methanimidamide?
The InChIKey is PRIIGTQEJSPVJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl3N6/c20-14-7-12-13-6-11(25-18-2-1-17(22)27-28-18)5-10(3-4-24-9-23)19(13)26-16(12)8-15(14)21/h1-2,5-9,26H,3-4H2,(H2,23,24)(H,25,28).
What are the key properties of N'-[2-[6,7-dichloro-3-[(6-chloropyridazin-3-yl)amino]-9H-carbazol-1-yl]ethyl]methanimidamide?
N'-[2-[6,7-dichloro-3-[(6-chloropyridazin-3-yl)amino]-9H-carbazol-1-yl]ethyl]methanimidamide has a molecular weight of 433.73 g/mol, XLogP of 5.34, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[6,7-dichloro-3-[(6-chloropyridazin-3-yl)amino]-9H-carbazol-1-yl]ethyl]methanimidamide is sourced from PubChem (CID 171793856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).