5-chloro-4-[[1-(4-methoxyphenyl)triazol-4-yl]methylamino]-1H-pyridazin-6-one

C14H13ClN6O2 — CID 71921414

IUPAC5-chloro-4-[[1-(4-methoxyphenyl)triazol-4-yl]methylamino]-1H-pyridazin-6-one
SMILESCOc1ccc(-n2cc(CNc3cn[nH]c(=O)c3Cl)nn2)cc1
InChIInChI=1S/C14H13ClN6O2/c1-23-11-4-2-10(3-5-11)21-8-9(18-20-21)6-16-12-7-17-19-14(22)13(12)15/h2-5,7-8H,6H2,1H3,(H2,16,19,22)
InChIKeySFLCRRPDWRHUFH-UHFFFAOYSA-N
MW332.75 g/mol
LogP1.62
Rot. Bonds5

About 5-chloro-4-[[1-(4-methoxyphenyl)triazol-4-yl]methylamino]-1H-pyridazin-6-one

5-chloro-4-[[1-(4-methoxyphenyl)triazol-4-yl]methylamino]-1H-pyridazin-6-one (PubChem CID 71921414) has the molecular formula C14H13ClN6O2 and a molecular weight of 332.75 g/mol. Its IUPAC name is 5-chloro-4-[[1-(4-methoxyphenyl)triazol-4-yl]methylamino]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-[[1-(4-methoxyphenyl)triazol-4-yl]methylamino]-1H-pyridazin-6-one
PubChem CID71921414
Molecular FormulaC14H13ClN6O2
Molecular Weight332.75 g/mol
Exact Mass332.08
IUPAC Name5-chloro-4-[[1-(4-methoxyphenyl)triazol-4-yl]methylamino]-1H-pyridazin-6-one
SMILESCOc1ccc(-n2cc(CNc3cn[nH]c(=O)c3Cl)nn2)cc1
InChIInChI=1S/C14H13ClN6O2/c1-23-11-4-2-10(3-5-11)21-8-9(18-20-21)6-16-12-7-17-19-14(22)13(12)15/h2-5,7-8H,6H2,1H3,(H2,16,19,22)
InChIKeySFLCRRPDWRHUFH-UHFFFAOYSA-N
XLogP1.62
TPSA97.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.75
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[[1-(4-methoxyphenyl)triazol-4-yl]methylamino]-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-[[1-(4-methoxyphenyl)triazol-4-yl]methylamino]-1H-pyridazin-6-one (CID 71921414) is 5-chloro-4-[[1-(4-methoxyphenyl)triazol-4-yl]methylamino]-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-[[1-(4-methoxyphenyl)triazol-4-yl]methylamino]-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-[[1-(4-methoxyphenyl)triazol-4-yl]methylamino]-1H-pyridazin-6-one is COc1ccc(-n2cc(CNc3cn[nH]c(=O)c3Cl)nn2)cc1.
What is the InChIKey of 5-chloro-4-[[1-(4-methoxyphenyl)triazol-4-yl]methylamino]-1H-pyridazin-6-one?
The InChIKey is SFLCRRPDWRHUFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN6O2/c1-23-11-4-2-10(3-5-11)21-8-9(18-20-21)6-16-12-7-17-19-14(22)13(12)15/h2-5,7-8H,6H2,1H3,(H2,16,19,22).
What are the key properties of 5-chloro-4-[[1-(4-methoxyphenyl)triazol-4-yl]methylamino]-1H-pyridazin-6-one?
5-chloro-4-[[1-(4-methoxyphenyl)triazol-4-yl]methylamino]-1H-pyridazin-6-one has a molecular weight of 332.75 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[[1-(4-methoxyphenyl)triazol-4-yl]methylamino]-1H-pyridazin-6-one is sourced from PubChem (CID 71921414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).