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

C16H17N9S — CID 166248002

IUPACN-[(1-pyrrolidin-3-yltriazol-4-yl)methyl]-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESc1cc(-c2nnc3ccc(NCc4cn(C5CCNC5)nn4)nn23)cs1
InChIInChI=1S/C16H17N9S/c1-2-15-20-21-16(11-4-6-26-10-11)25(15)22-14(1)18-7-12-9-24(23-19-12)13-3-5-17-8-13/h1-2,4,6,9-10,13,17H,3,5,7-8H2,(H,18,22)
InChIKeyOXIXWIWIEONAOR-UHFFFAOYSA-N
MW367.44 g/mol
LogP1.59
Rot. Bonds5

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

N-[(1-pyrrolidin-3-yltriazol-4-yl)methyl]-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 166248002) has the molecular formula C16H17N9S and a molecular weight of 367.44 g/mol. Its IUPAC name is N-[(1-pyrrolidin-3-yltriazol-4-yl)methyl]-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-[(1-pyrrolidin-3-yltriazol-4-yl)methyl]-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID166248002
Molecular FormulaC16H17N9S
Molecular Weight367.44 g/mol
Exact Mass367.13
IUPAC NameN-[(1-pyrrolidin-3-yltriazol-4-yl)methyl]-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESc1cc(-c2nnc3ccc(NCc4cn(C5CCNC5)nn4)nn23)cs1
InChIInChI=1S/C16H17N9S/c1-2-15-20-21-16(11-4-6-26-10-11)25(15)22-14(1)18-7-12-9-24(23-19-12)13-3-5-17-8-13/h1-2,4,6,9-10,13,17H,3,5,7-8H2,(H,18,22)
InChIKeyOXIXWIWIEONAOR-UHFFFAOYSA-N
XLogP1.59
TPSA97.85 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.44
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

N-[[4-(methoxymethyl)phenyl]methyl]-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133489560
N-[2-(4-fluorophenyl)ethyl]-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133488143
N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133488984
N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133489914
N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133493180
N-pentan-3-yl-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133488071
9-[[(3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 133492065
N-(2-morpholin-4-ylpropyl)-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133489519
N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133489216
3-thiophen-3-yl-N-[3-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133489106
N-(1-morpholin-4-ylpropan-2-yl)-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133489798
3-amino-5-[3-[(3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]propyl]-1H-pyrazole-4-carbonitrile
CID 133488575

Frequently Asked Questions

What is the IUPAC name of N-[(1-pyrrolidin-3-yltriazol-4-yl)methyl]-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of N-[(1-pyrrolidin-3-yltriazol-4-yl)methyl]-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 166248002) is N-[(1-pyrrolidin-3-yltriazol-4-yl)methyl]-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for N-[(1-pyrrolidin-3-yltriazol-4-yl)methyl]-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for N-[(1-pyrrolidin-3-yltriazol-4-yl)methyl]-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is c1cc(-c2nnc3ccc(NCc4cn(C5CCNC5)nn4)nn23)cs1.
What is the InChIKey of N-[(1-pyrrolidin-3-yltriazol-4-yl)methyl]-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is OXIXWIWIEONAOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N9S/c1-2-15-20-21-16(11-4-6-26-10-11)25(15)22-14(1)18-7-12-9-24(23-19-12)13-3-5-17-8-13/h1-2,4,6,9-10,13,17H,3,5,7-8H2,(H,18,22).
What are the key properties of N-[(1-pyrrolidin-3-yltriazol-4-yl)methyl]-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
N-[(1-pyrrolidin-3-yltriazol-4-yl)methyl]-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 367.44 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-pyrrolidin-3-yltriazol-4-yl)methyl]-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 166248002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).