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

C8H11N5O2 — CID 66281562

IUPAC7-[2-hydroxyethyl(methyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCN(CCO)c1cc2n[nH]c(=O)n2cn1
InChIInChI=1S/C8H11N5O2/c1-12(2-3-14)6-4-7-10-11-8(15)13(7)5-9-6/h4-5,14H,2-3H2,1H3,(H,11,15)
InChIKeyDUGHGTFZVJISES-UHFFFAOYSA-N
MW209.21 g/mol
LogP-1.15
Rot. Bonds3

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

7-[2-hydroxyethyl(methyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (PubChem CID 66281562) has the molecular formula C8H11N5O2 and a molecular weight of 209.21 g/mol. Its IUPAC name is 7-[2-hydroxyethyl(methyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.

Molecular Properties

Compound Name7-[2-hydroxyethyl(methyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
PubChem CID66281562
Molecular FormulaC8H11N5O2
Molecular Weight209.21 g/mol
Exact Mass209.09
IUPAC Name7-[2-hydroxyethyl(methyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCN(CCO)c1cc2n[nH]c(=O)n2cn1
InChIInChI=1S/C8H11N5O2/c1-12(2-3-14)6-4-7-10-11-8(15)13(7)5-9-6/h4-5,14H,2-3H2,1H3,(H,11,15)
InChIKeyDUGHGTFZVJISES-UHFFFAOYSA-N
XLogP-1.15
TPSA86.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 5-1.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[2-hydroxyethyl(methyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The IUPAC name of 7-[2-hydroxyethyl(methyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (CID 66281562) is 7-[2-hydroxyethyl(methyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.
What is the SMILES notation for 7-[2-hydroxyethyl(methyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The canonical SMILES for 7-[2-hydroxyethyl(methyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is CN(CCO)c1cc2n[nH]c(=O)n2cn1.
What is the InChIKey of 7-[2-hydroxyethyl(methyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The InChIKey is DUGHGTFZVJISES-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O2/c1-12(2-3-14)6-4-7-10-11-8(15)13(7)5-9-6/h4-5,14H,2-3H2,1H3,(H,11,15).
What are the key properties of 7-[2-hydroxyethyl(methyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
7-[2-hydroxyethyl(methyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one has a molecular weight of 209.21 g/mol, XLogP of -1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-hydroxyethyl(methyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is sourced from PubChem (CID 66281562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).