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

C10H15N5O2 — CID 66282150

IUPAC7-[2-hydroxyethyl(propyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCCCN(CCO)c1cc2n[nH]c(=O)n2cn1
InChIInChI=1S/C10H15N5O2/c1-2-3-14(4-5-16)8-6-9-12-13-10(17)15(9)7-11-8/h6-7,16H,2-5H2,1H3,(H,13,17)
InChIKeyGQYWSGGYOLADAR-UHFFFAOYSA-N
MW237.26 g/mol
LogP-0.37
Rot. Bonds5

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

7-[2-hydroxyethyl(propyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (PubChem CID 66282150) has the molecular formula C10H15N5O2 and a molecular weight of 237.26 g/mol. Its IUPAC name is 7-[2-hydroxyethyl(propyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.

Molecular Properties

Compound Name7-[2-hydroxyethyl(propyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
PubChem CID66282150
Molecular FormulaC10H15N5O2
Molecular Weight237.26 g/mol
Exact Mass237.12
IUPAC Name7-[2-hydroxyethyl(propyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCCCN(CCO)c1cc2n[nH]c(=O)n2cn1
InChIInChI=1S/C10H15N5O2/c1-2-3-14(4-5-16)8-6-9-12-13-10(17)15(9)7-11-8/h6-7,16H,2-5H2,1H3,(H,13,17)
InChIKeyGQYWSGGYOLADAR-UHFFFAOYSA-N
XLogP-0.37
TPSA86.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[2-hydroxyethyl(propyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The IUPAC name of 7-[2-hydroxyethyl(propyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (CID 66282150) is 7-[2-hydroxyethyl(propyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.
What is the SMILES notation for 7-[2-hydroxyethyl(propyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The canonical SMILES for 7-[2-hydroxyethyl(propyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is CCCN(CCO)c1cc2n[nH]c(=O)n2cn1.
What is the InChIKey of 7-[2-hydroxyethyl(propyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The InChIKey is GQYWSGGYOLADAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O2/c1-2-3-14(4-5-16)8-6-9-12-13-10(17)15(9)7-11-8/h6-7,16H,2-5H2,1H3,(H,13,17).
What are the key properties of 7-[2-hydroxyethyl(propyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
7-[2-hydroxyethyl(propyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one has a molecular weight of 237.26 g/mol, XLogP of -0.37, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-hydroxyethyl(propyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is sourced from PubChem (CID 66282150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).