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

C13H19N5O2 — CID 66282408

IUPAC7-[cyclopentyl(2-hydroxyethyl)amino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCc1nc(N(CCO)C2CCCC2)cc2n[nH]c(=O)n12
InChIInChI=1S/C13H19N5O2/c1-9-14-11(8-12-15-16-13(20)18(9)12)17(6-7-19)10-4-2-3-5-10/h8,10,19H,2-7H2,1H3,(H,16,20)
InChIKeyPLUDODRVIPQULV-UHFFFAOYSA-N
MW277.33 g/mol
LogP0.47
Rot. Bonds4

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

7-[cyclopentyl(2-hydroxyethyl)amino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (PubChem CID 66282408) has the molecular formula C13H19N5O2 and a molecular weight of 277.33 g/mol. Its IUPAC name is 7-[cyclopentyl(2-hydroxyethyl)amino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.

Molecular Properties

Compound Name7-[cyclopentyl(2-hydroxyethyl)amino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
PubChem CID66282408
Molecular FormulaC13H19N5O2
Molecular Weight277.33 g/mol
Exact Mass277.15
IUPAC Name7-[cyclopentyl(2-hydroxyethyl)amino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCc1nc(N(CCO)C2CCCC2)cc2n[nH]c(=O)n12
InChIInChI=1S/C13H19N5O2/c1-9-14-11(8-12-15-16-13(20)18(9)12)17(6-7-19)10-4-2-3-5-10/h8,10,19H,2-7H2,1H3,(H,16,20)
InChIKeyPLUDODRVIPQULV-UHFFFAOYSA-N
XLogP0.47
TPSA86.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

5-methyl-7-[propyl(pyrrolidin-3-yl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66283178
6-[cyclopentyl(2-hydroxyethyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66282853
7-[(3-hydroxycyclobutyl)methyl-methylamino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66284162
2-[cyclobutyl-[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]ethanol
CID 102875669
2-[[4-(aminomethyl)-6-methyl-2-pyridinyl]-cyclohexylamino]ethanol
CID 114765171
2-[(6-chloro-2-methylpyrimidin-4-yl)-cyclohexylamino]ethanol
CID 55080382
4-[cyclohexyl(2-hydroxyethyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136979615
7-[(2-hydroxycyclohexyl)methylamino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66283172
7-(2-cyclopropyl-2-oxoethyl)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66277717
7-(4-aminocyclohexyl)oxy-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66284368
2-[cyclopentyl(2-hydroxyethyl)amino]-6-methylpyridine-4-carbothioamide
CID 114767464
6-[cyclobutyl(3-hydroxypropyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 102846663

Frequently Asked Questions

What is the IUPAC name of 7-[cyclopentyl(2-hydroxyethyl)amino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The IUPAC name of 7-[cyclopentyl(2-hydroxyethyl)amino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (CID 66282408) is 7-[cyclopentyl(2-hydroxyethyl)amino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.
What is the SMILES notation for 7-[cyclopentyl(2-hydroxyethyl)amino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The canonical SMILES for 7-[cyclopentyl(2-hydroxyethyl)amino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is Cc1nc(N(CCO)C2CCCC2)cc2n[nH]c(=O)n12.
What is the InChIKey of 7-[cyclopentyl(2-hydroxyethyl)amino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The InChIKey is PLUDODRVIPQULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2/c1-9-14-11(8-12-15-16-13(20)18(9)12)17(6-7-19)10-4-2-3-5-10/h8,10,19H,2-7H2,1H3,(H,16,20).
What are the key properties of 7-[cyclopentyl(2-hydroxyethyl)amino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
7-[cyclopentyl(2-hydroxyethyl)amino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one has a molecular weight of 277.33 g/mol, XLogP of 0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[cyclopentyl(2-hydroxyethyl)amino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is sourced from PubChem (CID 66282408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).