N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-5,6,7,8-tetrahydroquinazolin-4-amine

C17H20N8 — CID 126920728

IUPACN-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCN(c1ncnc2c1CCCC2)C1CN(c2ccc3nncn3n2)C1
InChIInChI=1S/C17H20N8/c1-23(17-13-4-2-3-5-14(13)18-10-19-17)12-8-24(9-12)16-7-6-15-21-20-11-25(15)22-16/h6-7,10-12H,2-5,8-9H2,1H3
InChIKeyHDNJTYJTQHEMRT-UHFFFAOYSA-N
MW336.40 g/mol
LogP1.12
Rot. Bonds3

About N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-5,6,7,8-tetrahydroquinazolin-4-amine

N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-5,6,7,8-tetrahydroquinazolin-4-amine (PubChem CID 126920728) has the molecular formula C17H20N8 and a molecular weight of 336.40 g/mol. Its IUPAC name is N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-5,6,7,8-tetrahydroquinazolin-4-amine.

Molecular Properties

Compound NameN-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-5,6,7,8-tetrahydroquinazolin-4-amine
PubChem CID126920728
Molecular FormulaC17H20N8
Molecular Weight336.40 g/mol
Exact Mass336.18
IUPAC NameN-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCN(c1ncnc2c1CCCC2)C1CN(c2ccc3nncn3n2)C1
InChIInChI=1S/C17H20N8/c1-23(17-13-4-2-3-5-14(13)18-10-19-17)12-8-24(9-12)16-7-6-15-21-20-11-25(15)22-16/h6-7,10-12H,2-5,8-9H2,1H3
InChIKeyHDNJTYJTQHEMRT-UHFFFAOYSA-N
XLogP1.12
TPSA75.34 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-5,6,7,8-tetrahydroquinazolin-4-amine with MolForge

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Related Compounds

N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 126918382
5-fluoro-N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]pyrimidin-4-amine
CID 126920737
N,6-dimethyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]pyridazin-3-amine
CID 126920500
N-(5,6-dihydro-4H-cyclopenta[d][1,3]oxazol-2-ylmethyl)-N-methyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-amine
CID 126920640
N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-amine
CID 126920664
N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methanesulfonamide
CID 126920465
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-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 126918141
1-methyl-5-[[methyl-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]amino]methyl]pyrrolidin-2-one
CID 126920686
5-(methoxymethyl)-N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-1,3,4-thiadiazol-2-amine
CID 126920730
5-[[methyl-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]amino]methyl]piperidin-2-one
CID 126920697
6-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 121185358

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-5,6,7,8-tetrahydroquinazolin-4-amine?
The IUPAC name of N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-5,6,7,8-tetrahydroquinazolin-4-amine (CID 126920728) is N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-5,6,7,8-tetrahydroquinazolin-4-amine.
What is the SMILES notation for N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-5,6,7,8-tetrahydroquinazolin-4-amine?
The canonical SMILES for N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-5,6,7,8-tetrahydroquinazolin-4-amine is CN(c1ncnc2c1CCCC2)C1CN(c2ccc3nncn3n2)C1.
What is the InChIKey of N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-5,6,7,8-tetrahydroquinazolin-4-amine?
The InChIKey is HDNJTYJTQHEMRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N8/c1-23(17-13-4-2-3-5-14(13)18-10-19-17)12-8-24(9-12)16-7-6-15-21-20-11-25(15)22-16/h6-7,10-12H,2-5,8-9H2,1H3.
What are the key properties of N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-5,6,7,8-tetrahydroquinazolin-4-amine?
N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-5,6,7,8-tetrahydroquinazolin-4-amine has a molecular weight of 336.40 g/mol, XLogP of 1.12, 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-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-5,6,7,8-tetrahydroquinazolin-4-amine is sourced from PubChem (CID 126920728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).