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

C20H22N8 — CID 126921480

IUPAC2-[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
SMILESCc1nnc2ccc(N3CC(N(C)c4nc5c(cc4C#N)CCCC5)C3)nn12
InChIInChI=1S/C20H22N8/c1-13-23-24-18-7-8-19(25-28(13)18)27-11-16(12-27)26(2)20-15(10-21)9-14-5-3-4-6-17(14)22-20/h7-9,16H,3-6,11-12H2,1-2H3
InChIKeyTUURXYYSFTYLNK-UHFFFAOYSA-N
MW374.45 g/mol
LogP1.90
Rot. Bonds3

About 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

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 (PubChem CID 126921480) has the molecular formula C20H22N8 and a molecular weight of 374.45 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID126921480
Molecular FormulaC20H22N8
Molecular Weight374.45 g/mol
Exact Mass374.20
IUPAC Name2-[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
SMILESCc1nnc2ccc(N3CC(N(C)c4nc5c(cc4C#N)CCCC5)C3)nn12
InChIInChI=1S/C20H22N8/c1-13-23-24-18-7-8-19(25-28(13)18)27-11-16(12-27)26(2)20-15(10-21)9-14-5-3-4-6-17(14)22-20/h7-9,16H,3-6,11-12H2,1-2H3
InChIKeyTUURXYYSFTYLNK-UHFFFAOYSA-N
XLogP1.90
TPSA86.24 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Related Compounds

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
2-[cyclopentyl(methyl)amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 54940936
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-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
2-[(4-aminocyclohexyl)-methylamino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 79113654
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
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
3-[[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-methylamino]pyrazine-2-carbonitrile
CID 126921747
N,5,6-trimethyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 126921212
2-[methyl(piperidin-3-yl)amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 63641993
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1nnc2ccc(N3CC(N(C)c4nc5c(cc4C#N)CCCC5)C3)nn12.
What is the InChIKey of 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?
The InChIKey is TUURXYYSFTYLNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N8/c1-13-23-24-18-7-8-19(25-28(13)18)27-11-16(12-27)26(2)20-15(10-21)9-14-5-3-4-6-17(14)22-20/h7-9,16H,3-6,11-12H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 374.45 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 126921480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).