5-chloro-4-(1-cyclohexyl-3,4,6,7-tetrahydro-2H-triazolo[4,5-c]pyridin-5-yl)-1H-pyridazin-6-one

C15H21ClN6O — CID 138484051

IUPAC5-chloro-4-(1-cyclohexyl-3,4,6,7-tetrahydro-2H-triazolo[4,5-c]pyridin-5-yl)-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(N2CCC3=C(C2)NNN3C2CCCCC2)c1Cl
InChIInChI=1S/C15H21ClN6O/c16-14-13(8-17-19-15(14)23)21-7-6-12-11(9-21)18-20-22(12)10-4-2-1-3-5-10/h8,10,18,20H,1-7,9H2,(H,19,23)
InChIKeyLYGHNOSJTFWSNJ-UHFFFAOYSA-N
MW336.83 g/mol
LogP1.50
Rot. Bonds2

About 5-chloro-4-(1-cyclohexyl-3,4,6,7-tetrahydro-2H-triazolo[4,5-c]pyridin-5-yl)-1H-pyridazin-6-one

5-chloro-4-(1-cyclohexyl-3,4,6,7-tetrahydro-2H-triazolo[4,5-c]pyridin-5-yl)-1H-pyridazin-6-one (PubChem CID 138484051) has the molecular formula C15H21ClN6O and a molecular weight of 336.83 g/mol. Its IUPAC name is 5-chloro-4-(1-cyclohexyl-3,4,6,7-tetrahydro-2H-triazolo[4,5-c]pyridin-5-yl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-(1-cyclohexyl-3,4,6,7-tetrahydro-2H-triazolo[4,5-c]pyridin-5-yl)-1H-pyridazin-6-one
PubChem CID138484051
Molecular FormulaC15H21ClN6O
Molecular Weight336.83 g/mol
Exact Mass336.15
IUPAC Name5-chloro-4-(1-cyclohexyl-3,4,6,7-tetrahydro-2H-triazolo[4,5-c]pyridin-5-yl)-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(N2CCC3=C(C2)NNN3C2CCCCC2)c1Cl
InChIInChI=1S/C15H21ClN6O/c16-14-13(8-17-19-15(14)23)21-7-6-12-11(9-21)18-20-22(12)10-4-2-1-3-5-10/h8,10,18,20H,1-7,9H2,(H,19,23)
InChIKeyLYGHNOSJTFWSNJ-UHFFFAOYSA-N
XLogP1.50
TPSA76.29 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.83
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(1-cyclohexyl-3,4,6,7-tetrahydro-2H-triazolo[4,5-c]pyridin-5-yl)-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-(1-cyclohexyl-3,4,6,7-tetrahydro-2H-triazolo[4,5-c]pyridin-5-yl)-1H-pyridazin-6-one (CID 138484051) is 5-chloro-4-(1-cyclohexyl-3,4,6,7-tetrahydro-2H-triazolo[4,5-c]pyridin-5-yl)-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-(1-cyclohexyl-3,4,6,7-tetrahydro-2H-triazolo[4,5-c]pyridin-5-yl)-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-(1-cyclohexyl-3,4,6,7-tetrahydro-2H-triazolo[4,5-c]pyridin-5-yl)-1H-pyridazin-6-one is O=c1[nH]ncc(N2CCC3=C(C2)NNN3C2CCCCC2)c1Cl.
What is the InChIKey of 5-chloro-4-(1-cyclohexyl-3,4,6,7-tetrahydro-2H-triazolo[4,5-c]pyridin-5-yl)-1H-pyridazin-6-one?
The InChIKey is LYGHNOSJTFWSNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN6O/c16-14-13(8-17-19-15(14)23)21-7-6-12-11(9-21)18-20-22(12)10-4-2-1-3-5-10/h8,10,18,20H,1-7,9H2,(H,19,23).
What are the key properties of 5-chloro-4-(1-cyclohexyl-3,4,6,7-tetrahydro-2H-triazolo[4,5-c]pyridin-5-yl)-1H-pyridazin-6-one?
5-chloro-4-(1-cyclohexyl-3,4,6,7-tetrahydro-2H-triazolo[4,5-c]pyridin-5-yl)-1H-pyridazin-6-one has a molecular weight of 336.83 g/mol, XLogP of 1.50, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(1-cyclohexyl-3,4,6,7-tetrahydro-2H-triazolo[4,5-c]pyridin-5-yl)-1H-pyridazin-6-one is sourced from PubChem (CID 138484051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).