N,N-dimethyl-3-[1-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

C19H27N7O — CID 126912114

IUPACN,N-dimethyl-3-[1-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCC(C)c1ocnc1CN1CCC(c2nnc3ccc(N(C)C)nn23)CC1
InChIInChI=1S/C19H27N7O/c1-13(2)18-15(20-12-27-18)11-25-9-7-14(8-10-25)19-22-21-16-5-6-17(24(3)4)23-26(16)19/h5-6,12-14H,7-11H2,1-4H3
InChIKeyBLJUVKWLBLBUFR-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.68
Rot. Bonds5

About N,N-dimethyl-3-[1-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

N,N-dimethyl-3-[1-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 126912114) has the molecular formula C19H27N7O and a molecular weight of 369.47 g/mol. Its IUPAC name is N,N-dimethyl-3-[1-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-[1-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID126912114
Molecular FormulaC19H27N7O
Molecular Weight369.47 g/mol
Exact Mass369.23
IUPAC NameN,N-dimethyl-3-[1-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCC(C)c1ocnc1CN1CCC(c2nnc3ccc(N(C)C)nn23)CC1
InChIInChI=1S/C19H27N7O/c1-13(2)18-15(20-12-27-18)11-25-9-7-14(8-10-25)19-22-21-16-5-6-17(24(3)4)23-26(16)19/h5-6,12-14H,7-11H2,1-4H3
InChIKeyBLJUVKWLBLBUFR-UHFFFAOYSA-N
XLogP2.68
TPSA75.59 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze N,N-dimethyl-3-[1-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine with MolForge

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Related Compounds

5-propan-2-yl-4-[[4-(1,2,10,11-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-12-yl)piperidin-1-yl]methyl]-1,3-oxazole
CID 126911341
N,N-dimethyl-3-[1-(pyrimidin-2-ylmethyl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 126912084
N,N-dimethyl-3-[1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 126912116
N,N-dimethyl-3-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 126912143
3-[1-[2-(azepan-1-yl)ethyl]piperidin-4-yl]-N,N-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 126912029
6-[[4-[6-(dimethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]methyl]-2-methylpyridazin-3-one
CID 126912061
4-[2-[4-[6-(dimethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]ethyl]morpholin-3-one
CID 126912161
N,N-dimethyl-3-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 126912206
N,N-dimethyl-3-(1-pyridin-4-ylpiperidin-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 126911947
5-propan-2-yl-4-[(3-pyridin-2-ylpyrrolidin-1-yl)methyl]-1,3-oxazole
CID 171326675
3-[1-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]piperidin-4-yl]-N,N-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 126912151
6-[[4-[6-(dimethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]methyl]piperidin-2-one
CID 126912047

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[1-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of N,N-dimethyl-3-[1-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 126912114) is N,N-dimethyl-3-[1-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for N,N-dimethyl-3-[1-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for N,N-dimethyl-3-[1-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is CC(C)c1ocnc1CN1CCC(c2nnc3ccc(N(C)C)nn23)CC1.
What is the InChIKey of N,N-dimethyl-3-[1-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is BLJUVKWLBLBUFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N7O/c1-13(2)18-15(20-12-27-18)11-25-9-7-14(8-10-25)19-22-21-16-5-6-17(24(3)4)23-26(16)19/h5-6,12-14H,7-11H2,1-4H3.
What are the key properties of N,N-dimethyl-3-[1-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
N,N-dimethyl-3-[1-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 369.47 g/mol, XLogP of 2.68, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[1-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 126912114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).