3-(7-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)cyclohexan-1-amine

C11H14ClN5 — CID 175891118

IUPAC3-(7-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)cyclohexan-1-amine
SMILESNC1CCCC(c2nnc3cc(Cl)cnn23)C1
InChIInChI=1S/C11H14ClN5/c12-8-5-10-15-16-11(17(10)14-6-8)7-2-1-3-9(13)4-7/h5-7,9H,1-4,13H2
InChIKeyHRIYRRQUVOKMNP-UHFFFAOYSA-N
MW251.72 g/mol
LogP1.76
Rot. Bonds1

About 3-(7-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)cyclohexan-1-amine

3-(7-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)cyclohexan-1-amine (PubChem CID 175891118) has the molecular formula C11H14ClN5 and a molecular weight of 251.72 g/mol. Its IUPAC name is 3-(7-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name3-(7-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)cyclohexan-1-amine
PubChem CID175891118
Molecular FormulaC11H14ClN5
Molecular Weight251.72 g/mol
Exact Mass251.09
IUPAC Name3-(7-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)cyclohexan-1-amine
SMILESNC1CCCC(c2nnc3cc(Cl)cnn23)C1
InChIInChI=1S/C11H14ClN5/c12-8-5-10-15-16-11(17(10)14-6-8)7-2-1-3-9(13)4-7/h5-7,9H,1-4,13H2
InChIKeyHRIYRRQUVOKMNP-UHFFFAOYSA-N
XLogP1.76
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.72
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(7-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)cyclohexan-1-amine?
The IUPAC name of 3-(7-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)cyclohexan-1-amine (CID 175891118) is 3-(7-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)cyclohexan-1-amine.
What is the SMILES notation for 3-(7-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)cyclohexan-1-amine?
The canonical SMILES for 3-(7-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)cyclohexan-1-amine is NC1CCCC(c2nnc3cc(Cl)cnn23)C1.
What is the InChIKey of 3-(7-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)cyclohexan-1-amine?
The InChIKey is HRIYRRQUVOKMNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN5/c12-8-5-10-15-16-11(17(10)14-6-8)7-2-1-3-9(13)4-7/h5-7,9H,1-4,13H2.
What are the key properties of 3-(7-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)cyclohexan-1-amine?
3-(7-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)cyclohexan-1-amine has a molecular weight of 251.72 g/mol, XLogP of 1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)cyclohexan-1-amine is sourced from PubChem (CID 175891118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).