N-([1,2,4]triazolo[4,3-b]pyridazin-3-ylmethyl)cyclopropanamine

C9H11N5 — CID 103294067

IUPACN-([1,2,4]triazolo[4,3-b]pyridazin-3-ylmethyl)cyclopropanamine
SMILESc1cnn2c(CNC3CC3)nnc2c1
InChIInChI=1S/C9H11N5/c1-2-8-12-13-9(14(8)11-5-1)6-10-7-3-4-7/h1-2,5,7,10H,3-4,6H2
InChIKeyDDPNWQQJXSEFOT-UHFFFAOYSA-N
MW189.22 g/mol
LogP0.38
Rot. Bonds3

About N-([1,2,4]triazolo[4,3-b]pyridazin-3-ylmethyl)cyclopropanamine

N-([1,2,4]triazolo[4,3-b]pyridazin-3-ylmethyl)cyclopropanamine (PubChem CID 103294067) has the molecular formula C9H11N5 and a molecular weight of 189.22 g/mol. Its IUPAC name is N-([1,2,4]triazolo[4,3-b]pyridazin-3-ylmethyl)cyclopropanamine.

Molecular Properties

Compound NameN-([1,2,4]triazolo[4,3-b]pyridazin-3-ylmethyl)cyclopropanamine
PubChem CID103294067
Molecular FormulaC9H11N5
Molecular Weight189.22 g/mol
Exact Mass189.10
IUPAC NameN-([1,2,4]triazolo[4,3-b]pyridazin-3-ylmethyl)cyclopropanamine
SMILESc1cnn2c(CNC3CC3)nnc2c1
InChIInChI=1S/C9H11N5/c1-2-8-12-13-9(14(8)11-5-1)6-10-7-3-4-7/h1-2,5,7,10H,3-4,6H2
InChIKeyDDPNWQQJXSEFOT-UHFFFAOYSA-N
XLogP0.38
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 89233361
N-[(5-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]cyclopropanamine
CID 117256932
1-(1,4-dimethylpiperazin-2-yl)-N-([1,2,4]triazolo[4,3-b]pyridazin-3-ylmethyl)ethanamine
CID 167819063
N-([1,2,4]triazolo[4,3-a]pyrimidin-3-ylmethyl)cyclopropanamine
CID 60837241
methyl 2-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)acetate
CID 103294346
3-[[3-(2-bromophenyl)pyrrolidin-1-yl]methyl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 166308620
3-iodo-[1,2,4]triazolo[4,3-b]pyridazine
CID 83382808
N-(imidazo[1,5-a]pyridin-3-ylmethyl)cyclopropanamine
CID 116993073
5-phenyl-N-([1,2,4]triazolo[4,3-b]pyridazin-3-ylmethyl)pyridine-3-carboxamide
CID 167782694
4-ethyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclohexan-1-amine
CID 28656296
N-[(2-pyridin-2-ylsulfanylimidazo[1,2-a]pyridin-3-yl)methyl]cyclopropanamine
CID 63806148
2-[4-(thiadiazol-4-ylmethylamino)cyclohexyl]pyridazin-3-one
CID 126934433

Frequently Asked Questions

What is the IUPAC name of N-([1,2,4]triazolo[4,3-b]pyridazin-3-ylmethyl)cyclopropanamine?
The IUPAC name of N-([1,2,4]triazolo[4,3-b]pyridazin-3-ylmethyl)cyclopropanamine (CID 103294067) is N-([1,2,4]triazolo[4,3-b]pyridazin-3-ylmethyl)cyclopropanamine.
What is the SMILES notation for N-([1,2,4]triazolo[4,3-b]pyridazin-3-ylmethyl)cyclopropanamine?
The canonical SMILES for N-([1,2,4]triazolo[4,3-b]pyridazin-3-ylmethyl)cyclopropanamine is c1cnn2c(CNC3CC3)nnc2c1.
What is the InChIKey of N-([1,2,4]triazolo[4,3-b]pyridazin-3-ylmethyl)cyclopropanamine?
The InChIKey is DDPNWQQJXSEFOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5/c1-2-8-12-13-9(14(8)11-5-1)6-10-7-3-4-7/h1-2,5,7,10H,3-4,6H2.
What are the key properties of N-([1,2,4]triazolo[4,3-b]pyridazin-3-ylmethyl)cyclopropanamine?
N-([1,2,4]triazolo[4,3-b]pyridazin-3-ylmethyl)cyclopropanamine has a molecular weight of 189.22 g/mol, XLogP of 0.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-([1,2,4]triazolo[4,3-b]pyridazin-3-ylmethyl)cyclopropanamine is sourced from PubChem (CID 103294067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).