7-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one

C10H12N6O2 — CID 106258476

IUPAC7-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCN1CCC(Nc2cc3n[nH]c(=O)n3cn2)C1=O
InChIInChI=1S/C10H12N6O2/c1-15-3-2-6(9(15)17)12-7-4-8-13-14-10(18)16(8)5-11-7/h4-6,12H,2-3H2,1H3,(H,14,18)
InChIKeyZXJFADFKJWMTCG-UHFFFAOYSA-N
MW248.25 g/mol
LogP-0.94
Rot. Bonds2

About 7-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one

7-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (PubChem CID 106258476) has the molecular formula C10H12N6O2 and a molecular weight of 248.25 g/mol. Its IUPAC name is 7-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.

Molecular Properties

Compound Name7-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
PubChem CID106258476
Molecular FormulaC10H12N6O2
Molecular Weight248.25 g/mol
Exact Mass248.10
IUPAC Name7-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCN1CCC(Nc2cc3n[nH]c(=O)n3cn2)C1=O
InChIInChI=1S/C10H12N6O2/c1-15-3-2-6(9(15)17)12-7-4-8-13-14-10(18)16(8)5-11-7/h4-6,12H,2-3H2,1H3,(H,14,18)
InChIKeyZXJFADFKJWMTCG-UHFFFAOYSA-N
XLogP-0.94
TPSA95.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 5-0.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The IUPAC name of 7-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (CID 106258476) is 7-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.
What is the SMILES notation for 7-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The canonical SMILES for 7-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is CN1CCC(Nc2cc3n[nH]c(=O)n3cn2)C1=O.
What is the InChIKey of 7-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The InChIKey is ZXJFADFKJWMTCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6O2/c1-15-3-2-6(9(15)17)12-7-4-8-13-14-10(18)16(8)5-11-7/h4-6,12H,2-3H2,1H3,(H,14,18).
What are the key properties of 7-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
7-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one has a molecular weight of 248.25 g/mol, XLogP of -0.94, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is sourced from PubChem (CID 106258476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).