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

C10H14N6O — CID 113282087

IUPAC7-[3-(methylamino)pyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCNC1CCN(c2cc3n[nH]c(=O)n3cn2)C1
InChIInChI=1S/C10H14N6O/c1-11-7-2-3-15(5-7)8-4-9-13-14-10(17)16(9)6-12-8/h4,6-7,11H,2-3,5H2,1H3,(H,14,17)
InChIKeyPCOMSHILTMRZJR-UHFFFAOYSA-N
MW234.26 g/mol
LogP-0.78
Rot. Bonds2

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

7-[3-(methylamino)pyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (PubChem CID 113282087) has the molecular formula C10H14N6O and a molecular weight of 234.26 g/mol. Its IUPAC name is 7-[3-(methylamino)pyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.

Molecular Properties

Compound Name7-[3-(methylamino)pyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
PubChem CID113282087
Molecular FormulaC10H14N6O
Molecular Weight234.26 g/mol
Exact Mass234.12
IUPAC Name7-[3-(methylamino)pyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCNC1CCN(c2cc3n[nH]c(=O)n3cn2)C1
InChIInChI=1S/C10H14N6O/c1-11-7-2-3-15(5-7)8-4-9-13-14-10(17)16(9)6-12-8/h4,6-7,11H,2-3,5H2,1H3,(H,14,17)
InChIKeyPCOMSHILTMRZJR-UHFFFAOYSA-N
XLogP-0.78
TPSA78.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 5-0.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

7-[(3S)-3-hydroxypyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 104892913
7-(3-chloro-4-methylpiperidin-1-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 102960804
7-(4-bromopiperidin-1-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 80674533
7-(4-acetylpiperidin-1-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66282689
7-(3,4-dihydroxypyrrolidin-1-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 106673245
1-(3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)piperidine-3-carbaldehyde
CID 66282160
5-methyl-7-[3-(methylamino)pyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 115300763
7-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66283125
7-[2-(aminomethyl)morpholin-4-yl]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66282684
7-(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 81097351
7-[4-(2-bromoethyl)piperazin-1-yl]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 80675558
7-[(1-ethylpiperidin-4-yl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66282120

Frequently Asked Questions

What is the IUPAC name of 7-[3-(methylamino)pyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The IUPAC name of 7-[3-(methylamino)pyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (CID 113282087) is 7-[3-(methylamino)pyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.
What is the SMILES notation for 7-[3-(methylamino)pyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The canonical SMILES for 7-[3-(methylamino)pyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is CNC1CCN(c2cc3n[nH]c(=O)n3cn2)C1.
What is the InChIKey of 7-[3-(methylamino)pyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The InChIKey is PCOMSHILTMRZJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6O/c1-11-7-2-3-15(5-7)8-4-9-13-14-10(17)16(9)6-12-8/h4,6-7,11H,2-3,5H2,1H3,(H,14,17).
What are the key properties of 7-[3-(methylamino)pyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
7-[3-(methylamino)pyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one has a molecular weight of 234.26 g/mol, XLogP of -0.78, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(methylamino)pyrrolidin-1-yl]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is sourced from PubChem (CID 113282087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).