7-[[1-(hydroxymethyl)cyclopentyl]methylamino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one

C13H19N5O2 — CID 115360672

IUPAC7-[[1-(hydroxymethyl)cyclopentyl]methylamino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCc1nc(NCC2(CO)CCCC2)cc2n[nH]c(=O)n12
InChIInChI=1S/C13H19N5O2/c1-9-15-10(6-11-16-17-12(20)18(9)11)14-7-13(8-19)4-2-3-5-13/h6,14,19H,2-5,7-8H2,1H3,(H,17,20)
InChIKeyWMTSWIYKHRCOLM-UHFFFAOYSA-N
MW277.33 g/mol
LogP0.69
Rot. Bonds4

About 7-[[1-(hydroxymethyl)cyclopentyl]methylamino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one

7-[[1-(hydroxymethyl)cyclopentyl]methylamino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (PubChem CID 115360672) has the molecular formula C13H19N5O2 and a molecular weight of 277.33 g/mol. Its IUPAC name is 7-[[1-(hydroxymethyl)cyclopentyl]methylamino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.

Molecular Properties

Compound Name7-[[1-(hydroxymethyl)cyclopentyl]methylamino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
PubChem CID115360672
Molecular FormulaC13H19N5O2
Molecular Weight277.33 g/mol
Exact Mass277.15
IUPAC Name7-[[1-(hydroxymethyl)cyclopentyl]methylamino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCc1nc(NCC2(CO)CCCC2)cc2n[nH]c(=O)n12
InChIInChI=1S/C13H19N5O2/c1-9-15-10(6-11-16-17-12(20)18(9)11)14-7-13(8-19)4-2-3-5-13/h6,14,19H,2-5,7-8H2,1H3,(H,17,20)
InChIKeyWMTSWIYKHRCOLM-UHFFFAOYSA-N
XLogP0.69
TPSA95.31 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

7-[[1-(aminomethyl)cyclopentyl]methylamino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 115366008
6-[[1-(hydroxymethyl)cyclopentyl]methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 115360732
7-[(4-hydroxy-2-methylbutyl)amino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66281620
7-[(5-hydroxy-2,2-dimethylpentyl)amino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 106144949
5-methyl-7-(2-methylsulfanylethylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66283954
5-methyl-7-(3-methylbutylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66283150
5-methyl-7-[2-(1-methylpyrazol-4-yl)ethylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 80688716
7-(1-hydroxybutan-2-ylamino)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66282959
7-(3-chlorobutylamino)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66277078
5-methyl-7-(2-piperazin-1-ylethylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66282609
5-methyl-7-(1,2,3,6-tetrahydropyridin-4-ylmethylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 114694689
7-(cyclooctylamino)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66283149

Frequently Asked Questions

What is the IUPAC name of 7-[[1-(hydroxymethyl)cyclopentyl]methylamino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The IUPAC name of 7-[[1-(hydroxymethyl)cyclopentyl]methylamino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (CID 115360672) is 7-[[1-(hydroxymethyl)cyclopentyl]methylamino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.
What is the SMILES notation for 7-[[1-(hydroxymethyl)cyclopentyl]methylamino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The canonical SMILES for 7-[[1-(hydroxymethyl)cyclopentyl]methylamino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is Cc1nc(NCC2(CO)CCCC2)cc2n[nH]c(=O)n12.
What is the InChIKey of 7-[[1-(hydroxymethyl)cyclopentyl]methylamino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The InChIKey is WMTSWIYKHRCOLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2/c1-9-15-10(6-11-16-17-12(20)18(9)11)14-7-13(8-19)4-2-3-5-13/h6,14,19H,2-5,7-8H2,1H3,(H,17,20).
What are the key properties of 7-[[1-(hydroxymethyl)cyclopentyl]methylamino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
7-[[1-(hydroxymethyl)cyclopentyl]methylamino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one has a molecular weight of 277.33 g/mol, XLogP of 0.69, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[1-(hydroxymethyl)cyclopentyl]methylamino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is sourced from PubChem (CID 115360672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).