N,2-dimethyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]pyrazole-3-carboxamide

C15H18N8O — CID 126921171

IUPACN,2-dimethyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]pyrazole-3-carboxamide
SMILESCc1nnc2ccc(N3CC(N(C)C(=O)c4ccnn4C)C3)nn12
InChIInChI=1S/C15H18N8O/c1-10-17-18-13-4-5-14(19-23(10)13)22-8-11(9-22)20(2)15(24)12-6-7-16-21(12)3/h4-7,11H,8-9H2,1-3H3
InChIKeyBUMSQNUFCYPRDG-UHFFFAOYSA-N
MW326.36 g/mol
LogP0.13
Rot. Bonds3

About N,2-dimethyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]pyrazole-3-carboxamide

N,2-dimethyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]pyrazole-3-carboxamide (PubChem CID 126921171) has the molecular formula C15H18N8O and a molecular weight of 326.36 g/mol. Its IUPAC name is N,2-dimethyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN,2-dimethyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]pyrazole-3-carboxamide
PubChem CID126921171
Molecular FormulaC15H18N8O
Molecular Weight326.36 g/mol
Exact Mass326.16
IUPAC NameN,2-dimethyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]pyrazole-3-carboxamide
SMILESCc1nnc2ccc(N3CC(N(C)C(=O)c4ccnn4C)C3)nn12
InChIInChI=1S/C15H18N8O/c1-10-17-18-13-4-5-14(19-23(10)13)22-8-11(9-22)20(2)15(24)12-6-7-16-21(12)3/h4-7,11H,8-9H2,1-3H3
InChIKeyBUMSQNUFCYPRDG-UHFFFAOYSA-N
XLogP0.13
TPSA84.45 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 50.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze N,2-dimethyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]pyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]pyrazole-3-carboxamide?
The IUPAC name of N,2-dimethyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]pyrazole-3-carboxamide (CID 126921171) is N,2-dimethyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]pyrazole-3-carboxamide.
What is the SMILES notation for N,2-dimethyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]pyrazole-3-carboxamide?
The canonical SMILES for N,2-dimethyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]pyrazole-3-carboxamide is Cc1nnc2ccc(N3CC(N(C)C(=O)c4ccnn4C)C3)nn12.
What is the InChIKey of N,2-dimethyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]pyrazole-3-carboxamide?
The InChIKey is BUMSQNUFCYPRDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N8O/c1-10-17-18-13-4-5-14(19-23(10)13)22-8-11(9-22)20(2)15(24)12-6-7-16-21(12)3/h4-7,11H,8-9H2,1-3H3.
What are the key properties of N,2-dimethyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]pyrazole-3-carboxamide?
N,2-dimethyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]pyrazole-3-carboxamide has a molecular weight of 326.36 g/mol, XLogP of 0.13, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 126921171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).