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

C14H20N6O — CID 66275343

IUPAC7-[2-[(cyclopropylamino)methyl]pyrrolidin-1-yl]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCc1nc(N2CCCC2CNC2CC2)cc2n[nH]c(=O)n12
InChIInChI=1S/C14H20N6O/c1-9-16-12(7-13-17-18-14(21)20(9)13)19-6-2-3-11(19)8-15-10-4-5-10/h7,10-11,15H,2-6,8H2,1H3,(H,18,21)
InChIKeyMMUOSRCOWMOEHA-UHFFFAOYSA-N
MW288.35 g/mol
LogP0.45
Rot. Bonds4

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

7-[2-[(cyclopropylamino)methyl]pyrrolidin-1-yl]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (PubChem CID 66275343) has the molecular formula C14H20N6O and a molecular weight of 288.35 g/mol. Its IUPAC name is 7-[2-[(cyclopropylamino)methyl]pyrrolidin-1-yl]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.

Molecular Properties

Compound Name7-[2-[(cyclopropylamino)methyl]pyrrolidin-1-yl]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
PubChem CID66275343
Molecular FormulaC14H20N6O
Molecular Weight288.35 g/mol
Exact Mass288.17
IUPAC Name7-[2-[(cyclopropylamino)methyl]pyrrolidin-1-yl]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCc1nc(N2CCCC2CNC2CC2)cc2n[nH]c(=O)n12
InChIInChI=1S/C14H20N6O/c1-9-16-12(7-13-17-18-14(21)20(9)13)19-6-2-3-11(19)8-15-10-4-5-10/h7,10-11,15H,2-6,8H2,1H3,(H,18,21)
InChIKeyMMUOSRCOWMOEHA-UHFFFAOYSA-N
XLogP0.45
TPSA78.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[2-[(cyclopropylamino)methyl]pyrrolidin-1-yl]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The IUPAC name of 7-[2-[(cyclopropylamino)methyl]pyrrolidin-1-yl]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (CID 66275343) is 7-[2-[(cyclopropylamino)methyl]pyrrolidin-1-yl]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.
What is the SMILES notation for 7-[2-[(cyclopropylamino)methyl]pyrrolidin-1-yl]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The canonical SMILES for 7-[2-[(cyclopropylamino)methyl]pyrrolidin-1-yl]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is Cc1nc(N2CCCC2CNC2CC2)cc2n[nH]c(=O)n12.
What is the InChIKey of 7-[2-[(cyclopropylamino)methyl]pyrrolidin-1-yl]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The InChIKey is MMUOSRCOWMOEHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O/c1-9-16-12(7-13-17-18-14(21)20(9)13)19-6-2-3-11(19)8-15-10-4-5-10/h7,10-11,15H,2-6,8H2,1H3,(H,18,21).
What are the key properties of 7-[2-[(cyclopropylamino)methyl]pyrrolidin-1-yl]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
7-[2-[(cyclopropylamino)methyl]pyrrolidin-1-yl]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one has a molecular weight of 288.35 g/mol, XLogP of 0.45, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-[(cyclopropylamino)methyl]pyrrolidin-1-yl]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is sourced from PubChem (CID 66275343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).