(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)-(2-methylpropyl)carbamic acid

C10H12ClN5O2 — CID 87070707

IUPAC(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)-(2-methylpropyl)carbamic acid
SMILESCC(C)CN(C(=O)O)c1cc(Cl)nn2cnnc12
InChIInChI=1S/C10H12ClN5O2/c1-6(2)4-15(10(17)18)7-3-8(11)14-16-5-12-13-9(7)16/h3,5-6H,4H2,1-2H3,(H,17,18)
InChIKeyXCVHFGDGNOLOFV-UHFFFAOYSA-N
MW269.69 g/mol
LogP1.92
Rot. Bonds3

About (6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)-(2-methylpropyl)carbamic acid

(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)-(2-methylpropyl)carbamic acid (PubChem CID 87070707) has the molecular formula C10H12ClN5O2 and a molecular weight of 269.69 g/mol. Its IUPAC name is (6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)-(2-methylpropyl)carbamic acid.

Molecular Properties

Compound Name(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)-(2-methylpropyl)carbamic acid
PubChem CID87070707
Molecular FormulaC10H12ClN5O2
Molecular Weight269.69 g/mol
Exact Mass269.07
IUPAC Name(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)-(2-methylpropyl)carbamic acid
SMILESCC(C)CN(C(=O)O)c1cc(Cl)nn2cnnc12
InChIInChI=1S/C10H12ClN5O2/c1-6(2)4-15(10(17)18)7-3-8(11)14-16-5-12-13-9(7)16/h3,5-6H,4H2,1-2H3,(H,17,18)
InChIKeyXCVHFGDGNOLOFV-UHFFFAOYSA-N
XLogP1.92
TPSA83.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.69
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)-(2-methylpropyl)carbamic acid?
The IUPAC name of (6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)-(2-methylpropyl)carbamic acid (CID 87070707) is (6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)-(2-methylpropyl)carbamic acid.
What is the SMILES notation for (6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)-(2-methylpropyl)carbamic acid?
The canonical SMILES for (6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)-(2-methylpropyl)carbamic acid is CC(C)CN(C(=O)O)c1cc(Cl)nn2cnnc12.
What is the InChIKey of (6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)-(2-methylpropyl)carbamic acid?
The InChIKey is XCVHFGDGNOLOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN5O2/c1-6(2)4-15(10(17)18)7-3-8(11)14-16-5-12-13-9(7)16/h3,5-6H,4H2,1-2H3,(H,17,18).
What are the key properties of (6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)-(2-methylpropyl)carbamic acid?
(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)-(2-methylpropyl)carbamic acid has a molecular weight of 269.69 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)-(2-methylpropyl)carbamic acid is sourced from PubChem (CID 87070707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).