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

C9H12N6O — CID 66282336

IUPAC7-(3-aminopyrrolidin-1-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESNC1CCN(c2cc3n[nH]c(=O)n3cn2)C1
InChIInChI=1S/C9H12N6O/c10-6-1-2-14(4-6)7-3-8-12-13-9(16)15(8)5-11-7/h3,5-6H,1-2,4,10H2,(H,13,16)
InChIKeyPGGVOITXHUDTQC-UHFFFAOYSA-N
MW220.24 g/mol
LogP-1.04
Rot. Bonds1

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

7-(3-aminopyrrolidin-1-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (PubChem CID 66282336) has the molecular formula C9H12N6O and a molecular weight of 220.24 g/mol. Its IUPAC name is 7-(3-aminopyrrolidin-1-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.

Molecular Properties

Compound Name7-(3-aminopyrrolidin-1-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
PubChem CID66282336
Molecular FormulaC9H12N6O
Molecular Weight220.24 g/mol
Exact Mass220.11
IUPAC Name7-(3-aminopyrrolidin-1-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESNC1CCN(c2cc3n[nH]c(=O)n3cn2)C1
InChIInChI=1S/C9H12N6O/c10-6-1-2-14(4-6)7-3-8-12-13-9(16)15(8)5-11-7/h3,5-6H,1-2,4,10H2,(H,13,16)
InChIKeyPGGVOITXHUDTQC-UHFFFAOYSA-N
XLogP-1.04
TPSA92.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.24
LogP ≤ 5-1.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(3-aminopyrrolidin-1-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The IUPAC name of 7-(3-aminopyrrolidin-1-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (CID 66282336) is 7-(3-aminopyrrolidin-1-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.
What is the SMILES notation for 7-(3-aminopyrrolidin-1-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The canonical SMILES for 7-(3-aminopyrrolidin-1-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is NC1CCN(c2cc3n[nH]c(=O)n3cn2)C1.
What is the InChIKey of 7-(3-aminopyrrolidin-1-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The InChIKey is PGGVOITXHUDTQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6O/c10-6-1-2-14(4-6)7-3-8-12-13-9(16)15(8)5-11-7/h3,5-6H,1-2,4,10H2,(H,13,16).
What are the key properties of 7-(3-aminopyrrolidin-1-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
7-(3-aminopyrrolidin-1-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one has a molecular weight of 220.24 g/mol, XLogP of -1.04, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-aminopyrrolidin-1-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is sourced from PubChem (CID 66282336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).