N-[5-(methoxymethyl)-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propanamide

C10H13N5O3 — CID 606912

IUPACN-[5-(methoxymethyl)-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propanamide
SMILESCCC(=O)Nc1nc2nc(COC)cc(=O)n2[nH]1
InChIInChI=1S/C10H13N5O3/c1-3-7(16)12-9-13-10-11-6(5-18-2)4-8(17)15(10)14-9/h4H,3,5H2,1-2H3,(H2,11,12,13,14,16)
InChIKeyRAEBOIRSFSEWBZ-UHFFFAOYSA-N
MW251.25 g/mol
LogP-0.09
Rot. Bonds4

About N-[5-(methoxymethyl)-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propanamide

N-[5-(methoxymethyl)-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propanamide (PubChem CID 606912) has the molecular formula C10H13N5O3 and a molecular weight of 251.25 g/mol. Its IUPAC name is N-[5-(methoxymethyl)-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propanamide.

Molecular Properties

Compound NameN-[5-(methoxymethyl)-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propanamide
PubChem CID606912
Molecular FormulaC10H13N5O3
Molecular Weight251.25 g/mol
Exact Mass251.10
IUPAC NameN-[5-(methoxymethyl)-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propanamide
SMILESCCC(=O)Nc1nc2nc(COC)cc(=O)n2[nH]1
InChIInChI=1S/C10H13N5O3/c1-3-7(16)12-9-13-10-11-6(5-18-2)4-8(17)15(10)14-9/h4H,3,5H2,1-2H3,(H2,11,12,13,14,16)
InChIKeyRAEBOIRSFSEWBZ-UHFFFAOYSA-N
XLogP-0.09
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-Amino-5-methoxymethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 719696
N-(7-hydroxy-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanamide
CID 930424
5-Methoxymethyl-2-trifluoromethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 1971867
5-(methoxymethyl)-2-(methylthio)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
CID 667126
N-(7-hydroxy-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)butanamide
CID 930740
2-amino-5-(ethoxymethyl)-4H,7H-(1,2,4)triazolo(1,5-a)pyrimidin-7-one
CID 125454397
5-(methoxymethyl)-2-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
CID 667053
5-(methoxymethyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
CID 762078
N-(7-hydroxy-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
CID 930380
N-(5-Methoxymethyl-7-oxo-3,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-acetamide
CID 606911
2-methyl-N-(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanamide
CID 6459834
5-Acetoxymethyl7-hydroxy-2-methyl-s-triazolo[1,5-a]pyrimidine
CID 15672775

Frequently Asked Questions

What is the IUPAC name of N-[5-(methoxymethyl)-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propanamide?
The IUPAC name of N-[5-(methoxymethyl)-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propanamide (CID 606912) is N-[5-(methoxymethyl)-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propanamide.
What is the SMILES notation for N-[5-(methoxymethyl)-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propanamide?
The canonical SMILES for N-[5-(methoxymethyl)-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propanamide is CCC(=O)Nc1nc2nc(COC)cc(=O)n2[nH]1.
What is the InChIKey of N-[5-(methoxymethyl)-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propanamide?
The InChIKey is RAEBOIRSFSEWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O3/c1-3-7(16)12-9-13-10-11-6(5-18-2)4-8(17)15(10)14-9/h4H,3,5H2,1-2H3,(H2,11,12,13,14,16).
What are the key properties of N-[5-(methoxymethyl)-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propanamide?
N-[5-(methoxymethyl)-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propanamide has a molecular weight of 251.25 g/mol, XLogP of -0.09, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(methoxymethyl)-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propanamide is sourced from PubChem (CID 606912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).