4-(3-ethenyl-1,2,4-triazol-1-yl)-2-propan-2-ylpyridazin-3-one

C11H13N5O — CID 170173628

IUPAC4-(3-ethenyl-1,2,4-triazol-1-yl)-2-propan-2-ylpyridazin-3-one
SMILESC=Cc1ncn(-c2ccnn(C(C)C)c2=O)n1
InChIInChI=1S/C11H13N5O/c1-4-10-12-7-15(14-10)9-5-6-13-16(8(2)3)11(9)17/h4-8H,1H2,2-3H3
InChIKeyASKDIFORNBTDKA-UHFFFAOYSA-N
MW231.26 g/mol
LogP1.05
Rot. Bonds3

About 4-(3-ethenyl-1,2,4-triazol-1-yl)-2-propan-2-ylpyridazin-3-one

4-(3-ethenyl-1,2,4-triazol-1-yl)-2-propan-2-ylpyridazin-3-one (PubChem CID 170173628) has the molecular formula C11H13N5O and a molecular weight of 231.26 g/mol. Its IUPAC name is 4-(3-ethenyl-1,2,4-triazol-1-yl)-2-propan-2-ylpyridazin-3-one.

Molecular Properties

Compound Name4-(3-ethenyl-1,2,4-triazol-1-yl)-2-propan-2-ylpyridazin-3-one
PubChem CID170173628
Molecular FormulaC11H13N5O
Molecular Weight231.26 g/mol
Exact Mass231.11
IUPAC Name4-(3-ethenyl-1,2,4-triazol-1-yl)-2-propan-2-ylpyridazin-3-one
SMILESC=Cc1ncn(-c2ccnn(C(C)C)c2=O)n1
InChIInChI=1S/C11H13N5O/c1-4-10-12-7-15(14-10)9-5-6-13-16(8(2)3)11(9)17/h4-8H,1H2,2-3H3
InChIKeyASKDIFORNBTDKA-UHFFFAOYSA-N
XLogP1.05
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(3-ethenyl-1,2,4-triazol-1-yl)-2-propan-2-ylpyridazin-3-one?
The IUPAC name of 4-(3-ethenyl-1,2,4-triazol-1-yl)-2-propan-2-ylpyridazin-3-one (CID 170173628) is 4-(3-ethenyl-1,2,4-triazol-1-yl)-2-propan-2-ylpyridazin-3-one.
What is the SMILES notation for 4-(3-ethenyl-1,2,4-triazol-1-yl)-2-propan-2-ylpyridazin-3-one?
The canonical SMILES for 4-(3-ethenyl-1,2,4-triazol-1-yl)-2-propan-2-ylpyridazin-3-one is C=Cc1ncn(-c2ccnn(C(C)C)c2=O)n1.
What is the InChIKey of 4-(3-ethenyl-1,2,4-triazol-1-yl)-2-propan-2-ylpyridazin-3-one?
The InChIKey is ASKDIFORNBTDKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O/c1-4-10-12-7-15(14-10)9-5-6-13-16(8(2)3)11(9)17/h4-8H,1H2,2-3H3.
What are the key properties of 4-(3-ethenyl-1,2,4-triazol-1-yl)-2-propan-2-ylpyridazin-3-one?
4-(3-ethenyl-1,2,4-triazol-1-yl)-2-propan-2-ylpyridazin-3-one has a molecular weight of 231.26 g/mol, XLogP of 1.05, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethenyl-1,2,4-triazol-1-yl)-2-propan-2-ylpyridazin-3-one is sourced from PubChem (CID 170173628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).