N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

C17H22N8 — CID 126918141

IUPACN-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCN(c1ccc2nncn2n1)C1CN(c2ccc(C(C)(C)C)nn2)C1
InChIInChI=1S/C17H22N8/c1-17(2,3)13-5-6-14(21-19-13)24-9-12(10-24)23(4)16-8-7-15-20-18-11-25(15)22-16/h5-8,11-12H,9-10H2,1-4H3
InChIKeySYFRAWKWQRBPCF-UHFFFAOYSA-N
MW338.42 g/mol
LogP1.54
Rot. Bonds3

About N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 126918141) has the molecular formula C17H22N8 and a molecular weight of 338.42 g/mol. Its IUPAC name is N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID126918141
Molecular FormulaC17H22N8
Molecular Weight338.42 g/mol
Exact Mass338.20
IUPAC NameN-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCN(c1ccc2nncn2n1)C1CN(c2ccc(C(C)(C)C)nn2)C1
InChIInChI=1S/C17H22N8/c1-17(2,3)13-5-6-14(21-19-13)24-9-12(10-24)23(4)16-8-7-15-20-18-11-25(15)22-16/h5-8,11-12H,9-10H2,1-4H3
InChIKeySYFRAWKWQRBPCF-UHFFFAOYSA-N
XLogP1.54
TPSA75.34 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

N,6-dimethyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]pyridazin-3-amine
CID 126920500
N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-5-(trifluoromethyl)pyridin-2-amine
CID 126920482
N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N-methyl-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-amine
CID 126918184
N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N,3-dimethylpyrazin-2-amine
CID 126918193
N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N-methylmethanesulfonamide
CID 126918115
N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-2-cyclopropyl-N-methylpyrimidin-4-amine
CID 126918387
5-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-methylamino]pyrazine-2-carbonitrile
CID 126918390
1-(6-tert-butylpyridazin-3-yl)-N,N-dimethylpiperidin-3-amine
CID 134595806
3-tert-butyl-6-(3,5-dimethylpiperidin-1-yl)pyridazine
CID 129258348
N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methanesulfonamide
CID 126920465
N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N,1-dimethylimidazole-4-sulfonamide
CID 126918120
1-(6-tert-butylpyridazin-3-yl)-N-methyl-N-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]azetidin-3-amine
CID 126918445

Frequently Asked Questions

What is the IUPAC name of N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 126918141) is N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is CN(c1ccc2nncn2n1)C1CN(c2ccc(C(C)(C)C)nn2)C1.
What is the InChIKey of N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is SYFRAWKWQRBPCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N8/c1-17(2,3)13-5-6-14(21-19-13)24-9-12(10-24)23(4)16-8-7-15-20-18-11-25(15)22-16/h5-8,11-12H,9-10H2,1-4H3.
What are the key properties of N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 338.42 g/mol, XLogP of 1.54, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 126918141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).