6-[(4-methylcycloheptyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one

C13H19N5O — CID 102809614

IUPAC6-[(4-methylcycloheptyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESCC1CCCC(Nc2ccc3n[nH]c(=O)n3n2)CC1
InChIInChI=1S/C13H19N5O/c1-9-3-2-4-10(6-5-9)14-11-7-8-12-15-16-13(19)18(12)17-11/h7-10H,2-6H2,1H3,(H,14,17)(H,16,19)
InChIKeyYPPBTADZNADWJW-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.80
Rot. Bonds2

About 6-[(4-methylcycloheptyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one

6-[(4-methylcycloheptyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (PubChem CID 102809614) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 6-[(4-methylcycloheptyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.

Molecular Properties

Compound Name6-[(4-methylcycloheptyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
PubChem CID102809614
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name6-[(4-methylcycloheptyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESCC1CCCC(Nc2ccc3n[nH]c(=O)n3n2)CC1
InChIInChI=1S/C13H19N5O/c1-9-3-2-4-10(6-5-9)14-11-7-8-12-15-16-13(19)18(12)17-11/h7-10H,2-6H2,1H3,(H,14,17)(H,16,19)
InChIKeyYPPBTADZNADWJW-UHFFFAOYSA-N
XLogP1.80
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(4-aminocyclohexyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66281643
6-[(4,4-dimethylcyclohexyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66283615
6-[(3-ethoxycyclobutyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 102609153
6-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66284001
6-[(2,2-dimethylcyclohexyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 79870359
3-[(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]piperidine-2,6-dione
CID 66284011
6-[2-(cyclopropylamino)ethylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66283625
6-[[1-(aminomethyl)-4-methylcyclohexyl]amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66281706
6-[(2-methylcyclohexyl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66284395
6-[[2-(hydroxymethyl)cyclopentyl]methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66283816
6-(2-cyclopropylethylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66283227
6-cyclohexylsulfonyl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 22425628

Frequently Asked Questions

What is the IUPAC name of 6-[(4-methylcycloheptyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The IUPAC name of 6-[(4-methylcycloheptyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (CID 102809614) is 6-[(4-methylcycloheptyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.
What is the SMILES notation for 6-[(4-methylcycloheptyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The canonical SMILES for 6-[(4-methylcycloheptyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is CC1CCCC(Nc2ccc3n[nH]c(=O)n3n2)CC1.
What is the InChIKey of 6-[(4-methylcycloheptyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The InChIKey is YPPBTADZNADWJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-9-3-2-4-10(6-5-9)14-11-7-8-12-15-16-13(19)18(12)17-11/h7-10H,2-6H2,1H3,(H,14,17)(H,16,19).
What are the key properties of 6-[(4-methylcycloheptyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
6-[(4-methylcycloheptyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one has a molecular weight of 261.33 g/mol, XLogP of 1.80, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-methylcycloheptyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is sourced from PubChem (CID 102809614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).