N-propyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

C8H11N5 — CID 53017567

IUPACN-propyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCCCNc1ccc2nncn2n1
InChIInChI=1S/C8H11N5/c1-2-5-9-7-3-4-8-11-10-6-13(8)12-7/h3-4,6H,2,5H2,1H3,(H,9,12)
InChIKeySUSXSOCHBWIXOJ-UHFFFAOYSA-N
MW177.21 g/mol
LogP0.95
Rot. Bonds3

About N-propyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

N-propyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 53017567) has the molecular formula C8H11N5 and a molecular weight of 177.21 g/mol. Its IUPAC name is N-propyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-propyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID53017567
Molecular FormulaC8H11N5
Molecular Weight177.21 g/mol
Exact Mass177.10
IUPAC NameN-propyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCCCNc1ccc2nncn2n1
InChIInChI=1S/C8H11N5/c1-2-5-9-7-3-4-8-11-10-6-13(8)12-7/h3-4,6H,2,5H2,1H3,(H,9,12)
InChIKeySUSXSOCHBWIXOJ-UHFFFAOYSA-N
XLogP0.95
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-propyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of N-propyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 53017567) is N-propyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for N-propyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for N-propyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is CCCNc1ccc2nncn2n1.
What is the InChIKey of N-propyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is SUSXSOCHBWIXOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5/c1-2-5-9-7-3-4-8-11-10-6-13(8)12-7/h3-4,6H,2,5H2,1H3,(H,9,12).
What are the key properties of N-propyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
N-propyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 177.21 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 53017567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).