7-[(2-hydroxy-3-methoxypropyl)-methylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one

C10H15N5O3 — CID 66282152

IUPAC7-[(2-hydroxy-3-methoxypropyl)-methylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCOCC(O)CN(C)c1cc2n[nH]c(=O)n2cn1
InChIInChI=1S/C10H15N5O3/c1-14(4-7(16)5-18-2)8-3-9-12-13-10(17)15(9)6-11-8/h3,6-7,16H,4-5H2,1-2H3,(H,13,17)
InChIKeyHGSSAAWENCVMHF-UHFFFAOYSA-N
MW253.26 g/mol
LogP-1.14
Rot. Bonds5

About 7-[(2-hydroxy-3-methoxypropyl)-methylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one

7-[(2-hydroxy-3-methoxypropyl)-methylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (PubChem CID 66282152) has the molecular formula C10H15N5O3 and a molecular weight of 253.26 g/mol. Its IUPAC name is 7-[(2-hydroxy-3-methoxypropyl)-methylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.

Molecular Properties

Compound Name7-[(2-hydroxy-3-methoxypropyl)-methylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
PubChem CID66282152
Molecular FormulaC10H15N5O3
Molecular Weight253.26 g/mol
Exact Mass253.12
IUPAC Name7-[(2-hydroxy-3-methoxypropyl)-methylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCOCC(O)CN(C)c1cc2n[nH]c(=O)n2cn1
InChIInChI=1S/C10H15N5O3/c1-14(4-7(16)5-18-2)8-3-9-12-13-10(17)15(9)6-11-8/h3,6-7,16H,4-5H2,1-2H3,(H,13,17)
InChIKeyHGSSAAWENCVMHF-UHFFFAOYSA-N
XLogP-1.14
TPSA95.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 5-1.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[(2-hydroxy-3-methoxypropyl)-methylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The IUPAC name of 7-[(2-hydroxy-3-methoxypropyl)-methylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (CID 66282152) is 7-[(2-hydroxy-3-methoxypropyl)-methylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.
What is the SMILES notation for 7-[(2-hydroxy-3-methoxypropyl)-methylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The canonical SMILES for 7-[(2-hydroxy-3-methoxypropyl)-methylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is COCC(O)CN(C)c1cc2n[nH]c(=O)n2cn1.
What is the InChIKey of 7-[(2-hydroxy-3-methoxypropyl)-methylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The InChIKey is HGSSAAWENCVMHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O3/c1-14(4-7(16)5-18-2)8-3-9-12-13-10(17)15(9)6-11-8/h3,6-7,16H,4-5H2,1-2H3,(H,13,17).
What are the key properties of 7-[(2-hydroxy-3-methoxypropyl)-methylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
7-[(2-hydroxy-3-methoxypropyl)-methylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one has a molecular weight of 253.26 g/mol, XLogP of -1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-hydroxy-3-methoxypropyl)-methylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is sourced from PubChem (CID 66282152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).