N-methyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine

C16H19N7S — CID 126921451

IUPACN-methyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine
SMILESCc1nnc2ccc(N3CC(N(C)c4nc5c(s4)CCC5)C3)nn12
InChIInChI=1S/C16H19N7S/c1-10-18-19-14-6-7-15(20-23(10)14)22-8-11(9-22)21(2)16-17-12-4-3-5-13(12)24-16/h6-7,11H,3-5,8-9H2,1-2H3
InChIKeyATIKSUMFHJJQPX-UHFFFAOYSA-N
MW341.44 g/mol
LogP1.70
Rot. Bonds3

About N-methyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine

N-methyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine (PubChem CID 126921451) has the molecular formula C16H19N7S and a molecular weight of 341.44 g/mol. Its IUPAC name is N-methyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine.

Molecular Properties

Compound NameN-methyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine
PubChem CID126921451
Molecular FormulaC16H19N7S
Molecular Weight341.44 g/mol
Exact Mass341.14
IUPAC NameN-methyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine
SMILESCc1nnc2ccc(N3CC(N(C)c4nc5c(s4)CCC5)C3)nn12
InChIInChI=1S/C16H19N7S/c1-10-18-19-14-6-7-15(20-23(10)14)22-8-11(9-22)21(2)16-17-12-4-3-5-13(12)24-16/h6-7,11H,3-5,8-9H2,1-2H3
InChIKeyATIKSUMFHJJQPX-UHFFFAOYSA-N
XLogP1.70
TPSA62.45 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze N-methyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine with MolForge

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Related Compounds

N-methyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)azetidin-3-amine
CID 126921362
N,4-dimethyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-1,3-thiazol-2-amine
CID 126921508
1-methyl-1-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)urea
CID 126921178
N,3-dimethyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 126921210
N-[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
CID 126917591
2-[methyl-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 126921480
N-cyclohexyl-N-methyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-amine
CID 126921223
N,6-dimethyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]pyridazin-3-amine
CID 126921215
N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N,5-dimethyl-1,3,4-thiadiazol-2-amine
CID 126922204
N-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N,3-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 126922761
N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N,4-dimethyl-1,3-thiazol-2-amine
CID 126922363
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

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine?
The IUPAC name of N-methyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine (CID 126921451) is N-methyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine.
What is the SMILES notation for N-methyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine?
The canonical SMILES for N-methyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine is Cc1nnc2ccc(N3CC(N(C)c4nc5c(s4)CCC5)C3)nn12.
What is the InChIKey of N-methyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine?
The InChIKey is ATIKSUMFHJJQPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N7S/c1-10-18-19-14-6-7-15(20-23(10)14)22-8-11(9-22)21(2)16-17-12-4-3-5-13(12)24-16/h6-7,11H,3-5,8-9H2,1-2H3.
What are the key properties of N-methyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine?
N-methyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine has a molecular weight of 341.44 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine is sourced from PubChem (CID 126921451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).