N,7,8-trimethyl-6-pentan-3-yloxy-[1,2,4]triazolo[4,3-b]pyridazin-3-amine

C13H21N5O — CID 58136952

IUPACN,7,8-trimethyl-6-pentan-3-yloxy-[1,2,4]triazolo[4,3-b]pyridazin-3-amine
SMILESCCC(CC)Oc1nn2c(NC)nnc2c(C)c1C
InChIInChI=1S/C13H21N5O/c1-6-10(7-2)19-12-9(4)8(3)11-15-16-13(14-5)18(11)17-12/h10H,6-7H2,1-5H3,(H,14,16)
InChIKeyXUDVIXVQVXUCRW-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.35
Rot. Bonds5

About N,7,8-trimethyl-6-pentan-3-yloxy-[1,2,4]triazolo[4,3-b]pyridazin-3-amine

N,7,8-trimethyl-6-pentan-3-yloxy-[1,2,4]triazolo[4,3-b]pyridazin-3-amine (PubChem CID 58136952) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is N,7,8-trimethyl-6-pentan-3-yloxy-[1,2,4]triazolo[4,3-b]pyridazin-3-amine.

Molecular Properties

Compound NameN,7,8-trimethyl-6-pentan-3-yloxy-[1,2,4]triazolo[4,3-b]pyridazin-3-amine
PubChem CID58136952
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC NameN,7,8-trimethyl-6-pentan-3-yloxy-[1,2,4]triazolo[4,3-b]pyridazin-3-amine
SMILESCCC(CC)Oc1nn2c(NC)nnc2c(C)c1C
InChIInChI=1S/C13H21N5O/c1-6-10(7-2)19-12-9(4)8(3)11-15-16-13(14-5)18(11)17-12/h10H,6-7H2,1-5H3,(H,14,16)
InChIKeyXUDVIXVQVXUCRW-UHFFFAOYSA-N
XLogP2.35
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,7,8-trimethyl-6-pentan-3-yloxy-[1,2,4]triazolo[4,3-b]pyridazin-3-amine?
The IUPAC name of N,7,8-trimethyl-6-pentan-3-yloxy-[1,2,4]triazolo[4,3-b]pyridazin-3-amine (CID 58136952) is N,7,8-trimethyl-6-pentan-3-yloxy-[1,2,4]triazolo[4,3-b]pyridazin-3-amine.
What is the SMILES notation for N,7,8-trimethyl-6-pentan-3-yloxy-[1,2,4]triazolo[4,3-b]pyridazin-3-amine?
The canonical SMILES for N,7,8-trimethyl-6-pentan-3-yloxy-[1,2,4]triazolo[4,3-b]pyridazin-3-amine is CCC(CC)Oc1nn2c(NC)nnc2c(C)c1C.
What is the InChIKey of N,7,8-trimethyl-6-pentan-3-yloxy-[1,2,4]triazolo[4,3-b]pyridazin-3-amine?
The InChIKey is XUDVIXVQVXUCRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-6-10(7-2)19-12-9(4)8(3)11-15-16-13(14-5)18(11)17-12/h10H,6-7H2,1-5H3,(H,14,16).
What are the key properties of N,7,8-trimethyl-6-pentan-3-yloxy-[1,2,4]triazolo[4,3-b]pyridazin-3-amine?
N,7,8-trimethyl-6-pentan-3-yloxy-[1,2,4]triazolo[4,3-b]pyridazin-3-amine has a molecular weight of 263.34 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,7,8-trimethyl-6-pentan-3-yloxy-[1,2,4]triazolo[4,3-b]pyridazin-3-amine is sourced from PubChem (CID 58136952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).