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

C9H13N5O2 — CID 641864

IUPAC2-[2-hydroxyethyl(methyl)amino]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc(=O)n2[nH]c(N(C)CCO)nc2n1
InChIInChI=1S/C9H13N5O2/c1-6-5-7(16)14-8(10-6)11-9(12-14)13(2)3-4-15/h5,15H,3-4H2,1-2H3,(H,10,11,12)
InChIKeyVBGSYOKUYZBXKP-UHFFFAOYSA-N
MW223.24 g/mol
LogP-0.85
Rot. Bonds3

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

2-[2-hydroxyethyl(methyl)amino]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 641864) has the molecular formula C9H13N5O2 and a molecular weight of 223.24 g/mol. Its IUPAC name is 2-[2-hydroxyethyl(methyl)amino]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-[2-hydroxyethyl(methyl)amino]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID641864
Molecular FormulaC9H13N5O2
Molecular Weight223.24 g/mol
Exact Mass223.11
IUPAC Name2-[2-hydroxyethyl(methyl)amino]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc(=O)n2[nH]c(N(C)CCO)nc2n1
InChIInChI=1S/C9H13N5O2/c1-6-5-7(16)14-8(10-6)11-9(12-14)13(2)3-4-15/h5,15H,3-4H2,1-2H3,(H,10,11,12)
InChIKeyVBGSYOKUYZBXKP-UHFFFAOYSA-N
XLogP-0.85
TPSA86.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 5-0.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[1,2,4]Triazolo[1,5-a]pyrimidin-7(1H)-one, 2-(hydroxymethyl)-5-methyl-
CID 834899
2-(Dimethylamino)-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 14547515
2-(2-Hydroxyethylamino)amino-1,6-dimethyl-pyrimidin-4(1h)-one
CID 129765966
5-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 107485080
5-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 107485770
5-methyl-2-morpholin-4-yl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
CID 5324516
5-[[2-hydroxypropyl(methyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 55060786
5-[[butyl(2-hydroxyethyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 62013855
5-[[3-hydroxypropyl(propan-2-yl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 62015793
5-[[2-hydroxyethyl(pentan-3-yl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 62016080
5-[[2-hydroxyethyl(propyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 62016791
5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 62020399

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl(methyl)amino]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-[2-hydroxyethyl(methyl)amino]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 641864) is 2-[2-hydroxyethyl(methyl)amino]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-[2-hydroxyethyl(methyl)amino]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-[2-hydroxyethyl(methyl)amino]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is Cc1cc(=O)n2[nH]c(N(C)CCO)nc2n1.
What is the InChIKey of 2-[2-hydroxyethyl(methyl)amino]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is VBGSYOKUYZBXKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O2/c1-6-5-7(16)14-8(10-6)11-9(12-14)13(2)3-4-15/h5,15H,3-4H2,1-2H3,(H,10,11,12).
What are the key properties of 2-[2-hydroxyethyl(methyl)amino]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
2-[2-hydroxyethyl(methyl)amino]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 223.24 g/mol, XLogP of -0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl(methyl)amino]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 641864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).