2,3-dimethyl-1,5-di(propan-2-yl)-1,4-dihydropyridazino[4,5-b]indole

C18H27N3 — CID 121261655

IUPAC2,3-dimethyl-1,5-di(propan-2-yl)-1,4-dihydropyridazino[4,5-b]indole
SMILESCC(C)C1c2c(n(C(C)C)c3ccccc23)CN(C)N1C
InChIInChI=1S/C18H27N3/c1-12(2)18-17-14-9-7-8-10-15(14)21(13(3)4)16(17)11-19(5)20(18)6/h7-10,12-13,18H,11H2,1-6H3
InChIKeyRWTOURUGQIEUOE-UHFFFAOYSA-N
MW285.44 g/mol
LogP4.21
Rot. Bonds2

About 2,3-dimethyl-1,5-di(propan-2-yl)-1,4-dihydropyridazino[4,5-b]indole

2,3-dimethyl-1,5-di(propan-2-yl)-1,4-dihydropyridazino[4,5-b]indole (PubChem CID 121261655) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is 2,3-dimethyl-1,5-di(propan-2-yl)-1,4-dihydropyridazino[4,5-b]indole.

Molecular Properties

Compound Name2,3-dimethyl-1,5-di(propan-2-yl)-1,4-dihydropyridazino[4,5-b]indole
PubChem CID121261655
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC Name2,3-dimethyl-1,5-di(propan-2-yl)-1,4-dihydropyridazino[4,5-b]indole
SMILESCC(C)C1c2c(n(C(C)C)c3ccccc23)CN(C)N1C
InChIInChI=1S/C18H27N3/c1-12(2)18-17-14-9-7-8-10-15(14)21(13(3)4)16(17)11-19(5)20(18)6/h7-10,12-13,18H,11H2,1-6H3
InChIKeyRWTOURUGQIEUOE-UHFFFAOYSA-N
XLogP4.21
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1,5-di(propan-2-yl)-1,4-dihydropyridazino[4,5-b]indole?
The IUPAC name of 2,3-dimethyl-1,5-di(propan-2-yl)-1,4-dihydropyridazino[4,5-b]indole (CID 121261655) is 2,3-dimethyl-1,5-di(propan-2-yl)-1,4-dihydropyridazino[4,5-b]indole.
What is the SMILES notation for 2,3-dimethyl-1,5-di(propan-2-yl)-1,4-dihydropyridazino[4,5-b]indole?
The canonical SMILES for 2,3-dimethyl-1,5-di(propan-2-yl)-1,4-dihydropyridazino[4,5-b]indole is CC(C)C1c2c(n(C(C)C)c3ccccc23)CN(C)N1C.
What is the InChIKey of 2,3-dimethyl-1,5-di(propan-2-yl)-1,4-dihydropyridazino[4,5-b]indole?
The InChIKey is RWTOURUGQIEUOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-12(2)18-17-14-9-7-8-10-15(14)21(13(3)4)16(17)11-19(5)20(18)6/h7-10,12-13,18H,11H2,1-6H3.
What are the key properties of 2,3-dimethyl-1,5-di(propan-2-yl)-1,4-dihydropyridazino[4,5-b]indole?
2,3-dimethyl-1,5-di(propan-2-yl)-1,4-dihydropyridazino[4,5-b]indole has a molecular weight of 285.44 g/mol, XLogP of 4.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1,5-di(propan-2-yl)-1,4-dihydropyridazino[4,5-b]indole is sourced from PubChem (CID 121261655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).