3-chloro-5,7-dihydropyrrolo[2,3-e][1,2,4]triazin-6-one

C5H3ClN4O — CID 118962238

IUPAC3-chloro-5,7-dihydropyrrolo[2,3-e][1,2,4]triazin-6-one
SMILESO=C1Cc2nnc(Cl)nc2N1
InChIInChI=1S/C5H3ClN4O/c6-5-8-4-2(9-10-5)1-3(11)7-4/h1H2,(H,7,8,10,11)
InChIKeyRHUUKMLGIPDHKH-UHFFFAOYSA-N
MW170.56 g/mol
LogP0.02
Rot. Bonds

About 3-chloro-5,7-dihydropyrrolo[2,3-e][1,2,4]triazin-6-one

3-chloro-5,7-dihydropyrrolo[2,3-e][1,2,4]triazin-6-one (PubChem CID 118962238) has the molecular formula C5H3ClN4O and a molecular weight of 170.56 g/mol. Its IUPAC name is 3-chloro-5,7-dihydropyrrolo[2,3-e][1,2,4]triazin-6-one.

Molecular Properties

Compound Name3-chloro-5,7-dihydropyrrolo[2,3-e][1,2,4]triazin-6-one
PubChem CID118962238
Molecular FormulaC5H3ClN4O
Molecular Weight170.56 g/mol
Exact Mass170.00
IUPAC Name3-chloro-5,7-dihydropyrrolo[2,3-e][1,2,4]triazin-6-one
SMILESO=C1Cc2nnc(Cl)nc2N1
InChIInChI=1S/C5H3ClN4O/c6-5-8-4-2(9-10-5)1-3(11)7-4/h1H2,(H,7,8,10,11)
InChIKeyRHUUKMLGIPDHKH-UHFFFAOYSA-N
XLogP0.02
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.56
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5,7-dihydropyrrolo[2,3-e][1,2,4]triazin-6-one?
The IUPAC name of 3-chloro-5,7-dihydropyrrolo[2,3-e][1,2,4]triazin-6-one (CID 118962238) is 3-chloro-5,7-dihydropyrrolo[2,3-e][1,2,4]triazin-6-one.
What is the SMILES notation for 3-chloro-5,7-dihydropyrrolo[2,3-e][1,2,4]triazin-6-one?
The canonical SMILES for 3-chloro-5,7-dihydropyrrolo[2,3-e][1,2,4]triazin-6-one is O=C1Cc2nnc(Cl)nc2N1.
What is the InChIKey of 3-chloro-5,7-dihydropyrrolo[2,3-e][1,2,4]triazin-6-one?
The InChIKey is RHUUKMLGIPDHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3ClN4O/c6-5-8-4-2(9-10-5)1-3(11)7-4/h1H2,(H,7,8,10,11).
What are the key properties of 3-chloro-5,7-dihydropyrrolo[2,3-e][1,2,4]triazin-6-one?
3-chloro-5,7-dihydropyrrolo[2,3-e][1,2,4]triazin-6-one has a molecular weight of 170.56 g/mol, XLogP of 0.02, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5,7-dihydropyrrolo[2,3-e][1,2,4]triazin-6-one is sourced from PubChem (CID 118962238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).