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

C16H25N7 — CID 126921226

IUPACN-methyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-(2-pyrrolidin-1-ylethyl)azetidin-3-amine
SMILESCc1nnc2ccc(N3CC(N(C)CCN4CCCC4)C3)nn12
InChIInChI=1S/C16H25N7/c1-13-17-18-15-5-6-16(19-23(13)15)22-11-14(12-22)20(2)9-10-21-7-3-4-8-21/h5-6,14H,3-4,7-12H2,1-2H3
InChIKeyUAZRESCKLFTOFW-UHFFFAOYSA-N
MW315.42 g/mol
LogP0.65
Rot. Bonds5

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

N-methyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-(2-pyrrolidin-1-ylethyl)azetidin-3-amine (PubChem CID 126921226) has the molecular formula C16H25N7 and a molecular weight of 315.42 g/mol. Its IUPAC name is N-methyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-(2-pyrrolidin-1-ylethyl)azetidin-3-amine.

Molecular Properties

Compound NameN-methyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-(2-pyrrolidin-1-ylethyl)azetidin-3-amine
PubChem CID126921226
Molecular FormulaC16H25N7
Molecular Weight315.42 g/mol
Exact Mass315.22
IUPAC NameN-methyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-(2-pyrrolidin-1-ylethyl)azetidin-3-amine
SMILESCc1nnc2ccc(N3CC(N(C)CCN4CCCC4)C3)nn12
InChIInChI=1S/C16H25N7/c1-13-17-18-15-5-6-16(19-23(13)15)22-11-14(12-22)20(2)9-10-21-7-3-4-8-21/h5-6,14H,3-4,7-12H2,1-2H3
InChIKeyUAZRESCKLFTOFW-UHFFFAOYSA-N
XLogP0.65
TPSA52.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-cyclohexyl-N-methyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-amine
CID 126921223
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
3-methyl-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 869579
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
N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-amine
CID 126921343
6-[(3R)-3-(azepan-1-ylmethyl)piperidin-1-yl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 97075061
N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-amine
CID 126921394
N-methyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-(pyrimidin-4-ylmethyl)azetidin-3-amine
CID 126921334
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,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-methyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]azetidin-3-amine
CID 126921289
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

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-(2-pyrrolidin-1-ylethyl)azetidin-3-amine?
The IUPAC name of N-methyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-(2-pyrrolidin-1-ylethyl)azetidin-3-amine (CID 126921226) is N-methyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-(2-pyrrolidin-1-ylethyl)azetidin-3-amine.
What is the SMILES notation for N-methyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-(2-pyrrolidin-1-ylethyl)azetidin-3-amine?
The canonical SMILES for N-methyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-(2-pyrrolidin-1-ylethyl)azetidin-3-amine is Cc1nnc2ccc(N3CC(N(C)CCN4CCCC4)C3)nn12.
What is the InChIKey of N-methyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-(2-pyrrolidin-1-ylethyl)azetidin-3-amine?
The InChIKey is UAZRESCKLFTOFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N7/c1-13-17-18-15-5-6-16(19-23(13)15)22-11-14(12-22)20(2)9-10-21-7-3-4-8-21/h5-6,14H,3-4,7-12H2,1-2H3.
What are the key properties of N-methyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-(2-pyrrolidin-1-ylethyl)azetidin-3-amine?
N-methyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-(2-pyrrolidin-1-ylethyl)azetidin-3-amine has a molecular weight of 315.42 g/mol, XLogP of 0.65, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-(2-pyrrolidin-1-ylethyl)azetidin-3-amine is sourced from PubChem (CID 126921226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).