4-(aminomethyl)-1-(2H-triazolo[4,5-d]pyrimidin-7-yl)pyrrolidin-2-one

C9H11N7O — CID 168661466

IUPAC4-(aminomethyl)-1-(2H-triazolo[4,5-d]pyrimidin-7-yl)pyrrolidin-2-one
SMILESNCC1CC(=O)N(c2ncnc3n[nH]nc23)C1
InChIInChI=1S/C9H11N7O/c10-2-5-1-6(17)16(3-5)9-7-8(11-4-12-9)14-15-13-7/h4-5H,1-3,10H2,(H,11,12,13,14,15)
InChIKeyRJXGMYNZUFYOOO-UHFFFAOYSA-N
MW233.23 g/mol
LogP-0.94
Rot. Bonds2

About 4-(aminomethyl)-1-(2H-triazolo[4,5-d]pyrimidin-7-yl)pyrrolidin-2-one

4-(aminomethyl)-1-(2H-triazolo[4,5-d]pyrimidin-7-yl)pyrrolidin-2-one (PubChem CID 168661466) has the molecular formula C9H11N7O and a molecular weight of 233.23 g/mol. Its IUPAC name is 4-(aminomethyl)-1-(2H-triazolo[4,5-d]pyrimidin-7-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(aminomethyl)-1-(2H-triazolo[4,5-d]pyrimidin-7-yl)pyrrolidin-2-one
PubChem CID168661466
Molecular FormulaC9H11N7O
Molecular Weight233.23 g/mol
Exact Mass233.10
IUPAC Name4-(aminomethyl)-1-(2H-triazolo[4,5-d]pyrimidin-7-yl)pyrrolidin-2-one
SMILESNCC1CC(=O)N(c2ncnc3n[nH]nc23)C1
InChIInChI=1S/C9H11N7O/c10-2-5-1-6(17)16(3-5)9-7-8(11-4-12-9)14-15-13-7/h4-5H,1-3,10H2,(H,11,12,13,14,15)
InChIKeyRJXGMYNZUFYOOO-UHFFFAOYSA-N
XLogP-0.94
TPSA113.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 5-0.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(aminomethyl)-1-(7H-purin-6-yl)pyrrolidin-2-one
CID 168661465
4-(aminomethyl)-1-(5,6-diaminopyrimidin-4-yl)pyrrolidin-2-one
CID 168661037
4-(aminomethyl)-1-[9-(2-hydroxyethyl)purin-6-yl]pyrrolidin-2-one
CID 168661063
4-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-6-chloropyrimidine-5-carbaldehyde
CID 168661017
[5-oxo-1-(7H-purin-6-yl)pyrrolidin-3-yl]methanesulfonamide
CID 168683385
[1-(3-iodo-2H-pyrazolo[3,4-d]pyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168677457
6-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-1H-pyrimidine-2,4-dione
CID 168661390
4-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 168661169
1-(3-amino-5-chloro-2-pyridinyl)-4-(aminomethyl)pyrrolidin-2-one
CID 168661138
4-(aminomethyl)-1-(5-bromo-3,4-dimethyl-2-pyridinyl)pyrrolidin-2-one
CID 168659711
4-(aminomethyl)-1-(3-bromo-5-fluoro-2-pyridinyl)pyrrolidin-2-one
CID 168660978
4-(aminomethyl)-1-(8-methylquinolin-5-yl)pyrrolidin-2-one
CID 168659792

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1-(2H-triazolo[4,5-d]pyrimidin-7-yl)pyrrolidin-2-one?
The IUPAC name of 4-(aminomethyl)-1-(2H-triazolo[4,5-d]pyrimidin-7-yl)pyrrolidin-2-one (CID 168661466) is 4-(aminomethyl)-1-(2H-triazolo[4,5-d]pyrimidin-7-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-(aminomethyl)-1-(2H-triazolo[4,5-d]pyrimidin-7-yl)pyrrolidin-2-one?
The canonical SMILES for 4-(aminomethyl)-1-(2H-triazolo[4,5-d]pyrimidin-7-yl)pyrrolidin-2-one is NCC1CC(=O)N(c2ncnc3n[nH]nc23)C1.
What is the InChIKey of 4-(aminomethyl)-1-(2H-triazolo[4,5-d]pyrimidin-7-yl)pyrrolidin-2-one?
The InChIKey is RJXGMYNZUFYOOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N7O/c10-2-5-1-6(17)16(3-5)9-7-8(11-4-12-9)14-15-13-7/h4-5H,1-3,10H2,(H,11,12,13,14,15).
What are the key properties of 4-(aminomethyl)-1-(2H-triazolo[4,5-d]pyrimidin-7-yl)pyrrolidin-2-one?
4-(aminomethyl)-1-(2H-triazolo[4,5-d]pyrimidin-7-yl)pyrrolidin-2-one has a molecular weight of 233.23 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 4-(aminomethyl)-1-(2H-triazolo[4,5-d]pyrimidin-7-yl)pyrrolidin-2-one is sourced from PubChem (CID 168661466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).