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

C13H20N6O — CID 66283178

IUPAC5-methyl-7-[propyl(pyrrolidin-3-yl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCCCN(c1cc2n[nH]c(=O)n2c(C)n1)C1CCNC1
InChIInChI=1S/C13H20N6O/c1-3-6-18(10-4-5-14-8-10)11-7-12-16-17-13(20)19(12)9(2)15-11/h7,10,14H,3-6,8H2,1-2H3,(H,17,20)
InChIKeyXKQFOQOGIQQRGM-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.30
Rot. Bonds4

About 5-methyl-7-[propyl(pyrrolidin-3-yl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one

5-methyl-7-[propyl(pyrrolidin-3-yl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (PubChem CID 66283178) has the molecular formula C13H20N6O and a molecular weight of 276.34 g/mol. Its IUPAC name is 5-methyl-7-[propyl(pyrrolidin-3-yl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.

Molecular Properties

Compound Name5-methyl-7-[propyl(pyrrolidin-3-yl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
PubChem CID66283178
Molecular FormulaC13H20N6O
Molecular Weight276.34 g/mol
Exact Mass276.17
IUPAC Name5-methyl-7-[propyl(pyrrolidin-3-yl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCCCN(c1cc2n[nH]c(=O)n2c(C)n1)C1CCNC1
InChIInChI=1S/C13H20N6O/c1-3-6-18(10-4-5-14-8-10)11-7-12-16-17-13(20)19(12)9(2)15-11/h7,10,14H,3-6,8H2,1-2H3,(H,17,20)
InChIKeyXKQFOQOGIQQRGM-UHFFFAOYSA-N
XLogP0.30
TPSA78.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-methyl-7-[propyl(pyrrolidin-3-yl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one with MolForge

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Related Compounds

7-[cyclopentyl(2-hydroxyethyl)amino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66282408
7-[3-aminopropyl(propyl)amino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66283536
2-cyclopropyl-4-[propyl(pyrrolidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136978098
5-methyl-N-propyl-N-pyrrolidin-3-ylpyridazin-3-amine
CID 106550166
4-methyl-5-nitro-N-propyl-N-pyrrolidin-3-ylpyridin-2-amine
CID 79175870
3-[ethyl-(5-methyl-3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)amino]propanethioamide
CID 66282951
7-(4-aminocyclohexyl)oxy-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66284368
6-methylsulfanyl-N-propyl-N-pyrrolidin-3-ylpyrimidin-4-amine
CID 106973223
7-[(4-aminocyclohexyl)-propylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 79117674
3-[methyl-(5-methyl-3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)amino]butanenitrile
CID 66282563
6-chloro-N-propyl-N-pyrrolidin-3-ylpyridazin-3-amine
CID 63304490
7-[2-bromoethyl(2,2-difluoroethyl)amino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 107489713

Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-[propyl(pyrrolidin-3-yl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The IUPAC name of 5-methyl-7-[propyl(pyrrolidin-3-yl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (CID 66283178) is 5-methyl-7-[propyl(pyrrolidin-3-yl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.
What is the SMILES notation for 5-methyl-7-[propyl(pyrrolidin-3-yl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The canonical SMILES for 5-methyl-7-[propyl(pyrrolidin-3-yl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is CCCN(c1cc2n[nH]c(=O)n2c(C)n1)C1CCNC1.
What is the InChIKey of 5-methyl-7-[propyl(pyrrolidin-3-yl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The InChIKey is XKQFOQOGIQQRGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6O/c1-3-6-18(10-4-5-14-8-10)11-7-12-16-17-13(20)19(12)9(2)15-11/h7,10,14H,3-6,8H2,1-2H3,(H,17,20).
What are the key properties of 5-methyl-7-[propyl(pyrrolidin-3-yl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
5-methyl-7-[propyl(pyrrolidin-3-yl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one has a molecular weight of 276.34 g/mol, XLogP of 0.30, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-[propyl(pyrrolidin-3-yl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is sourced from PubChem (CID 66283178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).