5-[[ethyl(2-hydroxyethyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C10H15N5O2 — CID 62021024

IUPAC5-[[ethyl(2-hydroxyethyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCCN(CCO)Cc1cc(=O)n2[nH]cnc2n1
InChIInChI=1S/C10H15N5O2/c1-2-14(3-4-16)6-8-5-9(17)15-10(13-8)11-7-12-15/h5,7,16H,2-4,6H2,1H3,(H,11,12,13)
InChIKeyUMFNNTZVWATBHZ-UHFFFAOYSA-N
MW237.26 g/mol
LogP-0.77
Rot. Bonds5

About 5-[[ethyl(2-hydroxyethyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

5-[[ethyl(2-hydroxyethyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 62021024) has the molecular formula C10H15N5O2 and a molecular weight of 237.26 g/mol. Its IUPAC name is 5-[[ethyl(2-hydroxyethyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-[[ethyl(2-hydroxyethyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID62021024
Molecular FormulaC10H15N5O2
Molecular Weight237.26 g/mol
Exact Mass237.12
IUPAC Name5-[[ethyl(2-hydroxyethyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCCN(CCO)Cc1cc(=O)n2[nH]cnc2n1
InChIInChI=1S/C10H15N5O2/c1-2-14(3-4-16)6-8-5-9(17)15-10(13-8)11-7-12-15/h5,7,16H,2-4,6H2,1H3,(H,11,12,13)
InChIKeyUMFNNTZVWATBHZ-UHFFFAOYSA-N
XLogP-0.77
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 ≤ 5-0.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-Hydroxyethylamino)amino-1,6-dimethyl-pyrimidin-4(1h)-one
CID 129765966
5-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 107485080
5-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 107485770
2-[(2-hydroxyethyl)(methyl)amino]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
CID 641864
N-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]acetamide
CID 22160351
5-(morpholin-4-ylmethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 59476764
5-[[2-hydroxypropyl(methyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 55060786
methyl 2-[ethyl-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]amino]acetate
CID 62011972
ethyl 2-[methyl-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]amino]acetate
CID 62012962
5-[[butyl(2-hydroxyethyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 62013855
5-[[cyclopentyl(2-hydroxyethyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 62013894
5-[[3-hydroxypropyl(propan-2-yl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 62015793

Frequently Asked Questions

What is the IUPAC name of 5-[[ethyl(2-hydroxyethyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-[[ethyl(2-hydroxyethyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 62021024) is 5-[[ethyl(2-hydroxyethyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-[[ethyl(2-hydroxyethyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-[[ethyl(2-hydroxyethyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is CCN(CCO)Cc1cc(=O)n2[nH]cnc2n1.
What is the InChIKey of 5-[[ethyl(2-hydroxyethyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is UMFNNTZVWATBHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O2/c1-2-14(3-4-16)6-8-5-9(17)15-10(13-8)11-7-12-15/h5,7,16H,2-4,6H2,1H3,(H,11,12,13).
What are the key properties of 5-[[ethyl(2-hydroxyethyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
5-[[ethyl(2-hydroxyethyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 237.26 g/mol, XLogP of -0.77, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[ethyl(2-hydroxyethyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 62021024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).