4-(2-chlorophenyl)-3-N-[2-(dimethylamino)ethyl]-6-N-(1H-indazol-3-yl)pyridazine-3,6-diamine

C21H22ClN7 — CID 10173087

IUPAC4-(2-chlorophenyl)-3-N-[2-(dimethylamino)ethyl]-6-N-(1H-indazol-3-yl)pyridazine-3,6-diamine
SMILESCN(C)CCNc1nnc(Nc2n[nH]c3ccccc23)cc1-c1ccccc1Cl
InChIInChI=1S/C21H22ClN7/c1-29(2)12-11-23-20-16(14-7-3-5-9-17(14)22)13-19(26-27-20)24-21-15-8-4-6-10-18(15)25-28-21/h3-10,13H,11-12H2,1-2H3,(H,23,27)(H2,24,25,26,28)
InChIKeyAAKLZCWMVFTBPZ-UHFFFAOYSA-N
MW407.91 g/mol
LogP4.39
Rot. Bonds7

About 4-(2-chlorophenyl)-3-N-[2-(dimethylamino)ethyl]-6-N-(1H-indazol-3-yl)pyridazine-3,6-diamine

4-(2-chlorophenyl)-3-N-[2-(dimethylamino)ethyl]-6-N-(1H-indazol-3-yl)pyridazine-3,6-diamine (PubChem CID 10173087) has the molecular formula C21H22ClN7 and a molecular weight of 407.91 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-3-N-[2-(dimethylamino)ethyl]-6-N-(1H-indazol-3-yl)pyridazine-3,6-diamine.

Molecular Properties

Compound Name4-(2-chlorophenyl)-3-N-[2-(dimethylamino)ethyl]-6-N-(1H-indazol-3-yl)pyridazine-3,6-diamine
PubChem CID10173087
Molecular FormulaC21H22ClN7
Molecular Weight407.91 g/mol
Exact Mass407.16
IUPAC Name4-(2-chlorophenyl)-3-N-[2-(dimethylamino)ethyl]-6-N-(1H-indazol-3-yl)pyridazine-3,6-diamine
SMILESCN(C)CCNc1nnc(Nc2n[nH]c3ccccc23)cc1-c1ccccc1Cl
InChIInChI=1S/C21H22ClN7/c1-29(2)12-11-23-20-16(14-7-3-5-9-17(14)22)13-19(26-27-20)24-21-15-8-4-6-10-18(15)25-28-21/h3-10,13H,11-12H2,1-2H3,(H,23,27)(H2,24,25,26,28)
InChIKeyAAKLZCWMVFTBPZ-UHFFFAOYSA-N
XLogP4.39
TPSA81.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.91
LogP ≤ 54.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-3-N-[2-(dimethylamino)ethyl]-6-N-(1H-indazol-3-yl)pyridazine-3,6-diamine?
The IUPAC name of 4-(2-chlorophenyl)-3-N-[2-(dimethylamino)ethyl]-6-N-(1H-indazol-3-yl)pyridazine-3,6-diamine (CID 10173087) is 4-(2-chlorophenyl)-3-N-[2-(dimethylamino)ethyl]-6-N-(1H-indazol-3-yl)pyridazine-3,6-diamine.
What is the SMILES notation for 4-(2-chlorophenyl)-3-N-[2-(dimethylamino)ethyl]-6-N-(1H-indazol-3-yl)pyridazine-3,6-diamine?
The canonical SMILES for 4-(2-chlorophenyl)-3-N-[2-(dimethylamino)ethyl]-6-N-(1H-indazol-3-yl)pyridazine-3,6-diamine is CN(C)CCNc1nnc(Nc2n[nH]c3ccccc23)cc1-c1ccccc1Cl.
What is the InChIKey of 4-(2-chlorophenyl)-3-N-[2-(dimethylamino)ethyl]-6-N-(1H-indazol-3-yl)pyridazine-3,6-diamine?
The InChIKey is AAKLZCWMVFTBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN7/c1-29(2)12-11-23-20-16(14-7-3-5-9-17(14)22)13-19(26-27-20)24-21-15-8-4-6-10-18(15)25-28-21/h3-10,13H,11-12H2,1-2H3,(H,23,27)(H2,24,25,26,28).
What are the key properties of 4-(2-chlorophenyl)-3-N-[2-(dimethylamino)ethyl]-6-N-(1H-indazol-3-yl)pyridazine-3,6-diamine?
4-(2-chlorophenyl)-3-N-[2-(dimethylamino)ethyl]-6-N-(1H-indazol-3-yl)pyridazine-3,6-diamine has a molecular weight of 407.91 g/mol, XLogP of 4.39, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-3-N-[2-(dimethylamino)ethyl]-6-N-(1H-indazol-3-yl)pyridazine-3,6-diamine is sourced from PubChem (CID 10173087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).