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

C9H13N5O2 — CID 66281760

IUPAC7-[ethyl(2-hydroxyethyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCCN(CCO)c1cc2n[nH]c(=O)n2cn1
InChIInChI=1S/C9H13N5O2/c1-2-13(3-4-15)7-5-8-11-12-9(16)14(8)6-10-7/h5-6,15H,2-4H2,1H3,(H,12,16)
InChIKeyRKMUBJKBLLKDNG-UHFFFAOYSA-N
MW223.24 g/mol
LogP-0.76
Rot. Bonds4

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

7-[ethyl(2-hydroxyethyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (PubChem CID 66281760) has the molecular formula C9H13N5O2 and a molecular weight of 223.24 g/mol. Its IUPAC name is 7-[ethyl(2-hydroxyethyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.

Molecular Properties

Compound Name7-[ethyl(2-hydroxyethyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
PubChem CID66281760
Molecular FormulaC9H13N5O2
Molecular Weight223.24 g/mol
Exact Mass223.11
IUPAC Name7-[ethyl(2-hydroxyethyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCCN(CCO)c1cc2n[nH]c(=O)n2cn1
InChIInChI=1S/C9H13N5O2/c1-2-13(3-4-15)7-5-8-11-12-9(16)14(8)6-10-7/h5-6,15H,2-4H2,1H3,(H,12,16)
InChIKeyRKMUBJKBLLKDNG-UHFFFAOYSA-N
XLogP-0.76
TPSA86.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[ethyl(2-hydroxyethyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The IUPAC name of 7-[ethyl(2-hydroxyethyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (CID 66281760) is 7-[ethyl(2-hydroxyethyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.
What is the SMILES notation for 7-[ethyl(2-hydroxyethyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The canonical SMILES for 7-[ethyl(2-hydroxyethyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is CCN(CCO)c1cc2n[nH]c(=O)n2cn1.
What is the InChIKey of 7-[ethyl(2-hydroxyethyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The InChIKey is RKMUBJKBLLKDNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O2/c1-2-13(3-4-15)7-5-8-11-12-9(16)14(8)6-10-7/h5-6,15H,2-4H2,1H3,(H,12,16).
What are the key properties of 7-[ethyl(2-hydroxyethyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
7-[ethyl(2-hydroxyethyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one has a molecular weight of 223.24 g/mol, XLogP of -0.76, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[ethyl(2-hydroxyethyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is sourced from PubChem (CID 66281760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).