3-methyl-N-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

C9H13N5 — CID 915939

IUPAC3-methyl-N-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCc1nnc2ccc(NC(C)C)nn12
InChIInChI=1S/C9H13N5/c1-6(2)10-8-4-5-9-12-11-7(3)14(9)13-8/h4-6H,1-3H3,(H,10,13)
InChIKeyQKMCBMKMXYBGSP-UHFFFAOYSA-N
MW191.24 g/mol
LogP1.25
Rot. Bonds2

About 3-methyl-N-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

3-methyl-N-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 915939) has the molecular formula C9H13N5 and a molecular weight of 191.24 g/mol. Its IUPAC name is 3-methyl-N-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound Name3-methyl-N-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID915939
Molecular FormulaC9H13N5
Molecular Weight191.24 g/mol
Exact Mass191.12
IUPAC Name3-methyl-N-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCc1nnc2ccc(NC(C)C)nn12
InChIInChI=1S/C9H13N5/c1-6(2)10-8-4-5-9-12-11-7(3)14(9)13-8/h4-6H,1-3H3,(H,10,13)
InChIKeyQKMCBMKMXYBGSP-UHFFFAOYSA-N
XLogP1.25
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.24
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of 3-methyl-N-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 915939) is 3-methyl-N-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for 3-methyl-N-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for 3-methyl-N-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is Cc1nnc2ccc(NC(C)C)nn12.
What is the InChIKey of 3-methyl-N-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is QKMCBMKMXYBGSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5/c1-6(2)10-8-4-5-9-12-11-7(3)14(9)13-8/h4-6H,1-3H3,(H,10,13).
What are the key properties of 3-methyl-N-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
3-methyl-N-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 191.24 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 915939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).