3-cyclopropyl-N-[(4-cyclopropylmorpholin-2-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

C16H22N6O — CID 133295114

IUPAC3-cyclopropyl-N-[(4-cyclopropylmorpholin-2-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESc1cc2nnc(C3CC3)n2nc1NCC1CN(C2CC2)CCO1
InChIInChI=1S/C16H22N6O/c1-2-11(1)16-19-18-15-6-5-14(20-22(15)16)17-9-13-10-21(7-8-23-13)12-3-4-12/h5-6,11-13H,1-4,7-10H2,(H,17,20)
InChIKeyKBHNSHMQBVDKDO-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.28
Rot. Bonds5

About 3-cyclopropyl-N-[(4-cyclopropylmorpholin-2-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

3-cyclopropyl-N-[(4-cyclopropylmorpholin-2-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 133295114) has the molecular formula C16H22N6O and a molecular weight of 314.39 g/mol. Its IUPAC name is 3-cyclopropyl-N-[(4-cyclopropylmorpholin-2-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound Name3-cyclopropyl-N-[(4-cyclopropylmorpholin-2-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID133295114
Molecular FormulaC16H22N6O
Molecular Weight314.39 g/mol
Exact Mass314.19
IUPAC Name3-cyclopropyl-N-[(4-cyclopropylmorpholin-2-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESc1cc2nnc(C3CC3)n2nc1NCC1CN(C2CC2)CCO1
InChIInChI=1S/C16H22N6O/c1-2-11(1)16-19-18-15-6-5-14(20-22(15)16)17-9-13-10-21(7-8-23-13)12-3-4-12/h5-6,11-13H,1-4,7-10H2,(H,17,20)
InChIKeyKBHNSHMQBVDKDO-UHFFFAOYSA-N
XLogP1.28
TPSA67.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[(4-cyclopropylmorpholin-2-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of 3-cyclopropyl-N-[(4-cyclopropylmorpholin-2-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 133295114) is 3-cyclopropyl-N-[(4-cyclopropylmorpholin-2-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for 3-cyclopropyl-N-[(4-cyclopropylmorpholin-2-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for 3-cyclopropyl-N-[(4-cyclopropylmorpholin-2-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is c1cc2nnc(C3CC3)n2nc1NCC1CN(C2CC2)CCO1.
What is the InChIKey of 3-cyclopropyl-N-[(4-cyclopropylmorpholin-2-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is KBHNSHMQBVDKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O/c1-2-11(1)16-19-18-15-6-5-14(20-22(15)16)17-9-13-10-21(7-8-23-13)12-3-4-12/h5-6,11-13H,1-4,7-10H2,(H,17,20).
What are the key properties of 3-cyclopropyl-N-[(4-cyclopropylmorpholin-2-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
3-cyclopropyl-N-[(4-cyclopropylmorpholin-2-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 314.39 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-[(4-cyclopropylmorpholin-2-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 133295114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).