2-[(2-ethoxyphenyl)methylamino]-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C17H21N5O2 — CID 3486325

IUPAC2-[(2-ethoxyphenyl)methylamino]-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCCCc1cc(=O)n2[nH]c(NCc3ccccc3OCC)nc2n1
InChIInChI=1S/C17H21N5O2/c1-3-7-13-10-15(23)22-17(19-13)20-16(21-22)18-11-12-8-5-6-9-14(12)24-4-2/h5-6,8-10H,3-4,7,11H2,1-2H3,(H2,18,19,20,21)
InChIKeyMNKAEOOMMPLXCJ-UHFFFAOYSA-N
MW327.39 g/mol
LogP2.38
Rot. Bonds7

About 2-[(2-ethoxyphenyl)methylamino]-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

2-[(2-ethoxyphenyl)methylamino]-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 3486325) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 2-[(2-ethoxyphenyl)methylamino]-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-[(2-ethoxyphenyl)methylamino]-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID3486325
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name2-[(2-ethoxyphenyl)methylamino]-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCCCc1cc(=O)n2[nH]c(NCc3ccccc3OCC)nc2n1
InChIInChI=1S/C17H21N5O2/c1-3-7-13-10-15(23)22-17(19-13)20-16(21-22)18-11-12-8-5-6-9-14(12)24-4-2/h5-6,8-10H,3-4,7,11H2,1-2H3,(H2,18,19,20,21)
InChIKeyMNKAEOOMMPLXCJ-UHFFFAOYSA-N
XLogP2.38
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(4-phenylphenyl)methylamino]-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 162357305
11-[(2-ethoxyphenyl)methylamino]-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-trien-2-one
CID 2224143
2-[[2-methoxy-5-(1-methylpyrazol-3-yl)phenyl]methylamino]-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 162357257
2-[[2-chloro-5-(1-methylimidazol-4-yl)phenyl]methylamino]-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 162357209
N-(7-oxo-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-phenylacetamide
CID 7693042
2-[(5-chloro-2-piperidin-1-yl-4-pyridinyl)methylamino]-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 162357259
N-(7-oxo-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
CID 23607412
5-(anilinomethyl)-2-[(2-chlorophenyl)methylamino]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 53207972
ethyl 2-[2-[(4-methylphenyl)methylamino]-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]acetate
CID 23610612
5-[(3,4-dimethylanilino)methyl]-2-[(4-ethoxyphenyl)methylamino]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 50747463
5-ethyl-2-[(4-propan-2-yloxyphenyl)methylamino]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 23610740
methyl 2-[2-[(4-methoxyphenyl)methylamino]-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]acetate
CID 23610617

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethoxyphenyl)methylamino]-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-[(2-ethoxyphenyl)methylamino]-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 3486325) is 2-[(2-ethoxyphenyl)methylamino]-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-[(2-ethoxyphenyl)methylamino]-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-[(2-ethoxyphenyl)methylamino]-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is CCCc1cc(=O)n2[nH]c(NCc3ccccc3OCC)nc2n1.
What is the InChIKey of 2-[(2-ethoxyphenyl)methylamino]-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is MNKAEOOMMPLXCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-3-7-13-10-15(23)22-17(19-13)20-16(21-22)18-11-12-8-5-6-9-14(12)24-4-2/h5-6,8-10H,3-4,7,11H2,1-2H3,(H2,18,19,20,21).
What are the key properties of 2-[(2-ethoxyphenyl)methylamino]-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
2-[(2-ethoxyphenyl)methylamino]-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 327.39 g/mol, XLogP of 2.38, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethoxyphenyl)methylamino]-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 3486325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).