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

C17H21N7 — CID 155948830

IUPAC3-methyl-N-[(2-methyl-6-pyrrolidin-1-yl-4-pyridinyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCc1cc(CNc2ccc3nnc(C)n3n2)cc(N2CCCC2)n1
InChIInChI=1S/C17H21N7/c1-12-9-14(10-17(19-12)23-7-3-4-8-23)11-18-15-5-6-16-21-20-13(2)24(16)22-15/h5-6,9-10H,3-4,7-8,11H2,1-2H3,(H,18,22)
InChIKeyWAONCTLNDLINGZ-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.35
Rot. Bonds4

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

3-methyl-N-[(2-methyl-6-pyrrolidin-1-yl-4-pyridinyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 155948830) has the molecular formula C17H21N7 and a molecular weight of 323.40 g/mol. Its IUPAC name is 3-methyl-N-[(2-methyl-6-pyrrolidin-1-yl-4-pyridinyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound Name3-methyl-N-[(2-methyl-6-pyrrolidin-1-yl-4-pyridinyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID155948830
Molecular FormulaC17H21N7
Molecular Weight323.40 g/mol
Exact Mass323.19
IUPAC Name3-methyl-N-[(2-methyl-6-pyrrolidin-1-yl-4-pyridinyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCc1cc(CNc2ccc3nnc(C)n3n2)cc(N2CCCC2)n1
InChIInChI=1S/C17H21N7/c1-12-9-14(10-17(19-12)23-7-3-4-8-23)11-18-15-5-6-16-21-20-13(2)24(16)22-15/h5-6,9-10H,3-4,7-8,11H2,1-2H3,(H,18,22)
InChIKeyWAONCTLNDLINGZ-UHFFFAOYSA-N
XLogP2.35
TPSA71.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-methyl-N-[(2-methyl-6-pyrrolidin-1-yl-4-pyridinyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine with MolForge

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

Launch Full Analysis

Related Compounds

3-ethyl-N-[(2-methyl-6-pyrrolidin-1-yl-4-pyridinyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 155948841
6-methyl-N-[(2-methyl-6-pyrrolidin-1-yl-4-pyridinyl)methyl]pyridazin-3-amine
CID 155952533
3-methyl-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 869579
6-bromo-N-[(2-methyl-6-pyrrolidin-1-yl-4-pyridinyl)methyl]pyrazin-2-amine
CID 155951800
5-methyl-N-[(2-methyl-6-pyrrolidin-1-yl-4-pyridinyl)methyl]-1,3,4-oxadiazol-2-amine
CID 167810594
N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133309557
3-methyl-N-[(4-phenylsulfanylphenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133397227
[2-(azocan-1-yl)-6-methyl-4-pyridinyl]methanol
CID 113378723
4-N-methyl-2-N-[(2-methyl-6-pyrrolidin-1-yl-4-pyridinyl)methyl]quinazoline-2,4-diamine
CID 154864512
2-methyl-4-(2-methylpropyl)-6-pyrrolidin-1-ylpyridine
CID 157425014
2-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]acetate
CID 7446930
3-methyl-N-[(4-piperidin-1-yloxan-4-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 71860376

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(2-methyl-6-pyrrolidin-1-yl-4-pyridinyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of 3-methyl-N-[(2-methyl-6-pyrrolidin-1-yl-4-pyridinyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 155948830) is 3-methyl-N-[(2-methyl-6-pyrrolidin-1-yl-4-pyridinyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for 3-methyl-N-[(2-methyl-6-pyrrolidin-1-yl-4-pyridinyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for 3-methyl-N-[(2-methyl-6-pyrrolidin-1-yl-4-pyridinyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is Cc1cc(CNc2ccc3nnc(C)n3n2)cc(N2CCCC2)n1.
What is the InChIKey of 3-methyl-N-[(2-methyl-6-pyrrolidin-1-yl-4-pyridinyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is WAONCTLNDLINGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7/c1-12-9-14(10-17(19-12)23-7-3-4-8-23)11-18-15-5-6-16-21-20-13(2)24(16)22-15/h5-6,9-10H,3-4,7-8,11H2,1-2H3,(H,18,22).
What are the key properties of 3-methyl-N-[(2-methyl-6-pyrrolidin-1-yl-4-pyridinyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
3-methyl-N-[(2-methyl-6-pyrrolidin-1-yl-4-pyridinyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 323.40 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(2-methyl-6-pyrrolidin-1-yl-4-pyridinyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 155948830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).