N-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-ylmethyl)-N-methyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-amine

C17H22N8 — CID 126921303

IUPACN-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-ylmethyl)-N-methyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-amine
SMILESCc1nnc2ccc(N3CC(N(C)Cc4cnn5c4CCC5)C3)nn12
InChIInChI=1S/C17H22N8/c1-12-19-20-16-5-6-17(21-25(12)16)23-10-14(11-23)22(2)9-13-8-18-24-7-3-4-15(13)24/h5-6,8,14H,3-4,7,9-11H2,1-2H3
InChIKeyMYXQJEDYENYWHN-UHFFFAOYSA-N
MW338.42 g/mol
LogP0.90
Rot. Bonds4

About N-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-ylmethyl)-N-methyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-amine

N-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-ylmethyl)-N-methyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-amine (PubChem CID 126921303) has the molecular formula C17H22N8 and a molecular weight of 338.42 g/mol. Its IUPAC name is N-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-ylmethyl)-N-methyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-amine.

Molecular Properties

Compound NameN-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-ylmethyl)-N-methyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-amine
PubChem CID126921303
Molecular FormulaC17H22N8
Molecular Weight338.42 g/mol
Exact Mass338.20
IUPAC NameN-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-ylmethyl)-N-methyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-amine
SMILESCc1nnc2ccc(N3CC(N(C)Cc4cnn5c4CCC5)C3)nn12
InChIInChI=1S/C17H22N8/c1-12-19-20-16-5-6-17(21-25(12)16)23-10-14(11-23)22(2)9-13-8-18-24-7-3-4-15(13)24/h5-6,8,14H,3-4,7,9-11H2,1-2H3
InChIKeyMYXQJEDYENYWHN-UHFFFAOYSA-N
XLogP0.90
TPSA67.38 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze N-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-ylmethyl)-N-methyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-amine 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-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-ylmethyl)-N-methyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-amine?
The IUPAC name of N-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-ylmethyl)-N-methyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-amine (CID 126921303) is N-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-ylmethyl)-N-methyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-amine.
What is the SMILES notation for N-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-ylmethyl)-N-methyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-amine?
The canonical SMILES for N-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-ylmethyl)-N-methyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-amine is Cc1nnc2ccc(N3CC(N(C)Cc4cnn5c4CCC5)C3)nn12.
What is the InChIKey of N-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-ylmethyl)-N-methyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-amine?
The InChIKey is MYXQJEDYENYWHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N8/c1-12-19-20-16-5-6-17(21-25(12)16)23-10-14(11-23)22(2)9-13-8-18-24-7-3-4-15(13)24/h5-6,8,14H,3-4,7,9-11H2,1-2H3.
What are the key properties of N-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-ylmethyl)-N-methyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-amine?
N-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-ylmethyl)-N-methyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-amine has a molecular weight of 338.42 g/mol, XLogP of 0.90, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-ylmethyl)-N-methyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-amine is sourced from PubChem (CID 126921303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).