N-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)-N'-pyridin-2-ylpropane-1,3-diamine

C14H17N7 — CID 100670955

IUPACN-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)-N'-pyridin-2-ylpropane-1,3-diamine
SMILESCc1nc2ccc(NCCCNc3ccccn3)nn2n1
InChIInChI=1S/C14H17N7/c1-11-18-14-7-6-13(20-21(14)19-11)17-10-4-9-16-12-5-2-3-8-15-12/h2-3,5-8H,4,9-10H2,1H3,(H,15,16)(H,17,20)
InChIKeyANUGUNFKGKXBNL-UHFFFAOYSA-N
MW283.34 g/mol
LogP1.74
Rot. Bonds6

About N-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)-N'-pyridin-2-ylpropane-1,3-diamine

N-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)-N'-pyridin-2-ylpropane-1,3-diamine (PubChem CID 100670955) has the molecular formula C14H17N7 and a molecular weight of 283.34 g/mol. Its IUPAC name is N-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)-N'-pyridin-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)-N'-pyridin-2-ylpropane-1,3-diamine
PubChem CID100670955
Molecular FormulaC14H17N7
Molecular Weight283.34 g/mol
Exact Mass283.15
IUPAC NameN-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)-N'-pyridin-2-ylpropane-1,3-diamine
SMILESCc1nc2ccc(NCCCNc3ccccn3)nn2n1
InChIInChI=1S/C14H17N7/c1-11-18-14-7-6-13(20-21(14)19-11)17-10-4-9-16-12-5-2-3-8-15-12/h2-3,5-8H,4,9-10H2,1H3,(H,15,16)(H,17,20)
InChIKeyANUGUNFKGKXBNL-UHFFFAOYSA-N
XLogP1.74
TPSA80.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)-N'-pyridin-2-ylpropane-1,3-diamine?
The IUPAC name of N-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)-N'-pyridin-2-ylpropane-1,3-diamine (CID 100670955) is N-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)-N'-pyridin-2-ylpropane-1,3-diamine.
What is the SMILES notation for N-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)-N'-pyridin-2-ylpropane-1,3-diamine?
The canonical SMILES for N-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)-N'-pyridin-2-ylpropane-1,3-diamine is Cc1nc2ccc(NCCCNc3ccccn3)nn2n1.
What is the InChIKey of N-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)-N'-pyridin-2-ylpropane-1,3-diamine?
The InChIKey is ANUGUNFKGKXBNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N7/c1-11-18-14-7-6-13(20-21(14)19-11)17-10-4-9-16-12-5-2-3-8-15-12/h2-3,5-8H,4,9-10H2,1H3,(H,15,16)(H,17,20).
What are the key properties of N-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)-N'-pyridin-2-ylpropane-1,3-diamine?
N-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)-N'-pyridin-2-ylpropane-1,3-diamine has a molecular weight of 283.34 g/mol, XLogP of 1.74, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)-N'-pyridin-2-ylpropane-1,3-diamine is sourced from PubChem (CID 100670955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).