5-methyl-7-(pyrrol-1-ylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one

C10H10N6O — CID 79106781

IUPAC5-methyl-7-(pyrrol-1-ylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCc1nc(Nn2cccc2)cc2n[nH]c(=O)n12
InChIInChI=1S/C10H10N6O/c1-7-11-8(14-15-4-2-3-5-15)6-9-12-13-10(17)16(7)9/h2-6,14H,1H3,(H,13,17)
InChIKeyJOFRDYGJDRHXPU-UHFFFAOYSA-N
MW230.23 g/mol
LogP0.40
Rot. Bonds2

About 5-methyl-7-(pyrrol-1-ylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one

5-methyl-7-(pyrrol-1-ylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (PubChem CID 79106781) has the molecular formula C10H10N6O and a molecular weight of 230.23 g/mol. Its IUPAC name is 5-methyl-7-(pyrrol-1-ylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.

Molecular Properties

Compound Name5-methyl-7-(pyrrol-1-ylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
PubChem CID79106781
Molecular FormulaC10H10N6O
Molecular Weight230.23 g/mol
Exact Mass230.09
IUPAC Name5-methyl-7-(pyrrol-1-ylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCc1nc(Nn2cccc2)cc2n[nH]c(=O)n12
InChIInChI=1S/C10H10N6O/c1-7-11-8(14-15-4-2-3-5-15)6-9-12-13-10(17)16(7)9/h2-6,14H,1H3,(H,13,17)
InChIKeyJOFRDYGJDRHXPU-UHFFFAOYSA-N
XLogP0.40
TPSA80.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-(pyrrol-1-ylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The IUPAC name of 5-methyl-7-(pyrrol-1-ylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (CID 79106781) is 5-methyl-7-(pyrrol-1-ylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.
What is the SMILES notation for 5-methyl-7-(pyrrol-1-ylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The canonical SMILES for 5-methyl-7-(pyrrol-1-ylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is Cc1nc(Nn2cccc2)cc2n[nH]c(=O)n12.
What is the InChIKey of 5-methyl-7-(pyrrol-1-ylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The InChIKey is JOFRDYGJDRHXPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N6O/c1-7-11-8(14-15-4-2-3-5-15)6-9-12-13-10(17)16(7)9/h2-6,14H,1H3,(H,13,17).
What are the key properties of 5-methyl-7-(pyrrol-1-ylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
5-methyl-7-(pyrrol-1-ylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one has a molecular weight of 230.23 g/mol, XLogP of 0.40, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-(pyrrol-1-ylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is sourced from PubChem (CID 79106781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).