2-[4-(2-hydroxyethylamino)phenyl]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C14H15N5O2 — CID 114455239

IUPAC2-[4-(2-hydroxyethylamino)phenyl]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc(=O)n2[nH]c(-c3ccc(NCCO)cc3)nc2n1
InChIInChI=1S/C14H15N5O2/c1-9-8-12(21)19-14(16-9)17-13(18-19)10-2-4-11(5-3-10)15-6-7-20/h2-5,8,15,20H,6-7H2,1H3,(H,16,17,18)
InChIKeyNACASXZQHPGUOL-UHFFFAOYSA-N
MW285.31 g/mol
LogP0.80
Rot. Bonds4

About 2-[4-(2-hydroxyethylamino)phenyl]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

2-[4-(2-hydroxyethylamino)phenyl]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 114455239) has the molecular formula C14H15N5O2 and a molecular weight of 285.31 g/mol. Its IUPAC name is 2-[4-(2-hydroxyethylamino)phenyl]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-[4-(2-hydroxyethylamino)phenyl]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID114455239
Molecular FormulaC14H15N5O2
Molecular Weight285.31 g/mol
Exact Mass285.12
IUPAC Name2-[4-(2-hydroxyethylamino)phenyl]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc(=O)n2[nH]c(-c3ccc(NCCO)cc3)nc2n1
InChIInChI=1S/C14H15N5O2/c1-9-8-12(21)19-14(16-9)17-13(18-19)10-2-4-11(5-3-10)15-6-7-20/h2-5,8,15,20H,6-7H2,1H3,(H,16,17,18)
InChIKeyNACASXZQHPGUOL-UHFFFAOYSA-N
XLogP0.80
TPSA95.31 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(4-methylanilino)methyl]-2-(4-methylphenyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 23613969
5-[(4-fluoroanilino)methyl]-2-(4-methylphenyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 23613955
2-[(3,4-dimethylanilino)methyl]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 53013490
5-methyl-2-(3-methylphenyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 22433725
2-(4-tert-butylphenyl)-5-[(3,4-dimethylanilino)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 53003235
2-(5-amino-2-methylphenyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 114455385
2-(ethylamino)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 66490209
2-(4-fluorophenyl)-5-[(naphthalen-2-ylamino)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 53045555
5-methyl-2-[(2-methylanilino)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 53013492
5-[(4-methoxyanilino)methyl]-2-(3-methylphenyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 53044382
2-(5-amino-3-methyl-1,2-thiazol-4-yl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 114455440
2-(2-amino-3-methylphenyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 114455369

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydroxyethylamino)phenyl]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-[4-(2-hydroxyethylamino)phenyl]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 114455239) is 2-[4-(2-hydroxyethylamino)phenyl]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-[4-(2-hydroxyethylamino)phenyl]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-[4-(2-hydroxyethylamino)phenyl]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is Cc1cc(=O)n2[nH]c(-c3ccc(NCCO)cc3)nc2n1.
What is the InChIKey of 2-[4-(2-hydroxyethylamino)phenyl]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is NACASXZQHPGUOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O2/c1-9-8-12(21)19-14(16-9)17-13(18-19)10-2-4-11(5-3-10)15-6-7-20/h2-5,8,15,20H,6-7H2,1H3,(H,16,17,18).
What are the key properties of 2-[4-(2-hydroxyethylamino)phenyl]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
2-[4-(2-hydroxyethylamino)phenyl]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 285.31 g/mol, XLogP of 0.80, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-hydroxyethylamino)phenyl]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 114455239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).