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

C10H13N5 — CID 53016931

IUPACN-cyclopropyl-3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCCc1nnc2ccc(NC3CC3)nn12
InChIInChI=1S/C10H13N5/c1-2-9-12-13-10-6-5-8(14-15(9)10)11-7-3-4-7/h5-7H,2-4H2,1H3,(H,11,14)
InChIKeyKGAORLHOIZUFSA-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.26
Rot. Bonds3

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

N-cyclopropyl-3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 53016931) has the molecular formula C10H13N5 and a molecular weight of 203.25 g/mol. Its IUPAC name is N-cyclopropyl-3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-cyclopropyl-3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID53016931
Molecular FormulaC10H13N5
Molecular Weight203.25 g/mol
Exact Mass203.12
IUPAC NameN-cyclopropyl-3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCCc1nnc2ccc(NC3CC3)nn12
InChIInChI=1S/C10H13N5/c1-2-9-12-13-10-6-5-8(14-15(9)10)11-7-3-4-7/h5-7H,2-4H2,1H3,(H,11,14)
InChIKeyKGAORLHOIZUFSA-UHFFFAOYSA-N
XLogP1.26
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of N-cyclopropyl-3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 53016931) is N-cyclopropyl-3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for N-cyclopropyl-3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for N-cyclopropyl-3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is CCc1nnc2ccc(NC3CC3)nn12.
What is the InChIKey of N-cyclopropyl-3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is KGAORLHOIZUFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5/c1-2-9-12-13-10-6-5-8(14-15(9)10)11-7-3-4-7/h5-7H,2-4H2,1H3,(H,11,14).
What are the key properties of N-cyclopropyl-3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
N-cyclopropyl-3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 203.25 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 53016931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).