5-ethyl-2-[(4-propan-2-yloxyphenyl)methylamino]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C17H21N5O2 — CID 23610740

IUPAC5-ethyl-2-[(4-propan-2-yloxyphenyl)methylamino]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCCc1cc(=O)n2[nH]c(NCc3ccc(OC(C)C)cc3)nc2n1
InChIInChI=1S/C17H21N5O2/c1-4-13-9-15(23)22-17(19-13)20-16(21-22)18-10-12-5-7-14(8-6-12)24-11(2)3/h5-9,11H,4,10H2,1-3H3,(H2,18,19,20,21)
InChIKeyKGVIINIHZBRYKK-UHFFFAOYSA-N
MW327.39 g/mol
LogP2.38
Rot. Bonds6

About 5-ethyl-2-[(4-propan-2-yloxyphenyl)methylamino]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

5-ethyl-2-[(4-propan-2-yloxyphenyl)methylamino]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 23610740) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 5-ethyl-2-[(4-propan-2-yloxyphenyl)methylamino]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-ethyl-2-[(4-propan-2-yloxyphenyl)methylamino]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID23610740
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name5-ethyl-2-[(4-propan-2-yloxyphenyl)methylamino]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCCc1cc(=O)n2[nH]c(NCc3ccc(OC(C)C)cc3)nc2n1
InChIInChI=1S/C17H21N5O2/c1-4-13-9-15(23)22-17(19-13)20-16(21-22)18-10-12-5-7-14(8-6-12)24-11(2)3/h5-9,11H,4,10H2,1-3H3,(H2,18,19,20,21)
InChIKeyKGVIINIHZBRYKK-UHFFFAOYSA-N
XLogP2.38
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
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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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-[(4-propan-2-yloxyphenyl)methylamino]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-ethyl-2-[(4-propan-2-yloxyphenyl)methylamino]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 23610740) is 5-ethyl-2-[(4-propan-2-yloxyphenyl)methylamino]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-ethyl-2-[(4-propan-2-yloxyphenyl)methylamino]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-ethyl-2-[(4-propan-2-yloxyphenyl)methylamino]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is CCc1cc(=O)n2[nH]c(NCc3ccc(OC(C)C)cc3)nc2n1.
What is the InChIKey of 5-ethyl-2-[(4-propan-2-yloxyphenyl)methylamino]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is KGVIINIHZBRYKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-4-13-9-15(23)22-17(19-13)20-16(21-22)18-10-12-5-7-14(8-6-12)24-11(2)3/h5-9,11H,4,10H2,1-3H3,(H2,18,19,20,21).
What are the key properties of 5-ethyl-2-[(4-propan-2-yloxyphenyl)methylamino]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
5-ethyl-2-[(4-propan-2-yloxyphenyl)methylamino]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 327.39 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-[(4-propan-2-yloxyphenyl)methylamino]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 23610740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).