1-(6-cyclopropylpyridazin-3-yl)-N-methyl-N-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]azetidin-3-amine

C20H28N6 — CID 126917666

IUPAC1-(6-cyclopropylpyridazin-3-yl)-N-methyl-N-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]azetidin-3-amine
SMILESCN(Cc1c2c(nn1C)CCCC2)C1CN(c2ccc(C3CC3)nn2)C1
InChIInChI=1S/C20H28N6/c1-24(13-19-16-5-3-4-6-18(16)23-25(19)2)15-11-26(12-15)20-10-9-17(21-22-20)14-7-8-14/h9-10,14-15H,3-8,11-13H2,1-2H3
InChIKeyWOVMPLXETMTKHO-UHFFFAOYSA-N
MW352.49 g/mol
LogP2.29
Rot. Bonds5

About 1-(6-cyclopropylpyridazin-3-yl)-N-methyl-N-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]azetidin-3-amine

1-(6-cyclopropylpyridazin-3-yl)-N-methyl-N-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]azetidin-3-amine (PubChem CID 126917666) has the molecular formula C20H28N6 and a molecular weight of 352.49 g/mol. Its IUPAC name is 1-(6-cyclopropylpyridazin-3-yl)-N-methyl-N-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]azetidin-3-amine.

Molecular Properties

Compound Name1-(6-cyclopropylpyridazin-3-yl)-N-methyl-N-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]azetidin-3-amine
PubChem CID126917666
Molecular FormulaC20H28N6
Molecular Weight352.49 g/mol
Exact Mass352.24
IUPAC Name1-(6-cyclopropylpyridazin-3-yl)-N-methyl-N-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]azetidin-3-amine
SMILESCN(Cc1c2c(nn1C)CCCC2)C1CN(c2ccc(C3CC3)nn2)C1
InChIInChI=1S/C20H28N6/c1-24(13-19-16-5-3-4-6-18(16)23-25(19)2)15-11-26(12-15)20-10-9-17(21-22-20)14-7-8-14/h9-10,14-15H,3-8,11-13H2,1-2H3
InChIKeyWOVMPLXETMTKHO-UHFFFAOYSA-N
XLogP2.29
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.49
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(6-cyclopropylpyridazin-3-yl)-N-methyl-N-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]azetidin-3-amine?
The IUPAC name of 1-(6-cyclopropylpyridazin-3-yl)-N-methyl-N-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]azetidin-3-amine (CID 126917666) is 1-(6-cyclopropylpyridazin-3-yl)-N-methyl-N-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]azetidin-3-amine.
What is the SMILES notation for 1-(6-cyclopropylpyridazin-3-yl)-N-methyl-N-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]azetidin-3-amine?
The canonical SMILES for 1-(6-cyclopropylpyridazin-3-yl)-N-methyl-N-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]azetidin-3-amine is CN(Cc1c2c(nn1C)CCCC2)C1CN(c2ccc(C3CC3)nn2)C1.
What is the InChIKey of 1-(6-cyclopropylpyridazin-3-yl)-N-methyl-N-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]azetidin-3-amine?
The InChIKey is WOVMPLXETMTKHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6/c1-24(13-19-16-5-3-4-6-18(16)23-25(19)2)15-11-26(12-15)20-10-9-17(21-22-20)14-7-8-14/h9-10,14-15H,3-8,11-13H2,1-2H3.
What are the key properties of 1-(6-cyclopropylpyridazin-3-yl)-N-methyl-N-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]azetidin-3-amine?
1-(6-cyclopropylpyridazin-3-yl)-N-methyl-N-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]azetidin-3-amine has a molecular weight of 352.49 g/mol, XLogP of 2.29, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-cyclopropylpyridazin-3-yl)-N-methyl-N-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]azetidin-3-amine is sourced from PubChem (CID 126917666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).