2,2-dimethyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]propanamide

C15H22N6O — CID 134799077

IUPAC2,2-dimethyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]propanamide
SMILESCc1nnc2ccc(N3CCC(NC(=O)C(C)(C)C)C3)nn12
InChIInChI=1S/C15H22N6O/c1-10-17-18-12-5-6-13(19-21(10)12)20-8-7-11(9-20)16-14(22)15(2,3)4/h5-6,11H,7-9H2,1-4H3,(H,16,22)
InChIKeyVUUINBSUXJRTSM-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.17
Rot. Bonds2

About 2,2-dimethyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]propanamide

2,2-dimethyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]propanamide (PubChem CID 134799077) has the molecular formula C15H22N6O and a molecular weight of 302.38 g/mol. Its IUPAC name is 2,2-dimethyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]propanamide
PubChem CID134799077
Molecular FormulaC15H22N6O
Molecular Weight302.38 g/mol
Exact Mass302.19
IUPAC Name2,2-dimethyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]propanamide
SMILESCc1nnc2ccc(N3CCC(NC(=O)C(C)(C)C)C3)nn12
InChIInChI=1S/C15H22N6O/c1-10-17-18-12-5-6-13(19-21(10)12)20-8-7-11(9-20)16-14(22)15(2,3)4/h5-6,11H,7-9H2,1-4H3,(H,16,22)
InChIKeyVUUINBSUXJRTSM-UHFFFAOYSA-N
XLogP1.17
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]propanamide (CID 134799077) is 2,2-dimethyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]propanamide is Cc1nnc2ccc(N3CCC(NC(=O)C(C)(C)C)C3)nn12.
What is the InChIKey of 2,2-dimethyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]propanamide?
The InChIKey is VUUINBSUXJRTSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O/c1-10-17-18-12-5-6-13(19-21(10)12)20-8-7-11(9-20)16-14(22)15(2,3)4/h5-6,11H,7-9H2,1-4H3,(H,16,22).
What are the key properties of 2,2-dimethyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]propanamide?
2,2-dimethyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]propanamide has a molecular weight of 302.38 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]propanamide is sourced from PubChem (CID 134799077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).