7-(4-methoxyphenyl)-2-propyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one

C15H18N4O2 — CID 502189

IUPAC7-(4-methoxyphenyl)-2-propyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
SMILESCCCc1nc2n(n1)C(c1ccc(OC)cc1)CC(=O)N2
InChIInChI=1S/C15H18N4O2/c1-3-4-13-16-15-17-14(20)9-12(19(15)18-13)10-5-7-11(21-2)8-6-10/h5-8,12H,3-4,9H2,1-2H3,(H,16,17,18,20)
InChIKeyICNUTLGDYQMPAE-UHFFFAOYSA-N
MW286.34 g/mol
LogP2.17
Rot. Bonds4

About 7-(4-methoxyphenyl)-2-propyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one

7-(4-methoxyphenyl)-2-propyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one (PubChem CID 502189) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is 7-(4-methoxyphenyl)-2-propyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-(4-methoxyphenyl)-2-propyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
PubChem CID502189
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC Name7-(4-methoxyphenyl)-2-propyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
SMILESCCCc1nc2n(n1)C(c1ccc(OC)cc1)CC(=O)N2
InChIInChI=1S/C15H18N4O2/c1-3-4-13-16-15-17-14(20)9-12(19(15)18-13)10-5-7-11(21-2)8-6-10/h5-8,12H,3-4,9H2,1-2H3,(H,16,17,18,20)
InChIKeyICNUTLGDYQMPAE-UHFFFAOYSA-N
XLogP2.17
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-Hydroxypropyl)-7-(2-methoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 3563899
5,7-Bis(4-methoxyphenyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
CID 3734625
1-[7-(4-Methoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanone
CID 3146675
2-(3-Hydroxypropyl)-7-(3-methoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 4169705
2-(3-Hydroxypropyl)-7-(4-methoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 4580748
7-(4-Methoxyphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 645489
3-(4-methoxyphenyl)-1-(phenylacetyl)-1H-1,2,4-triazol-5-amine
CID 753277
7-(2-Ethoxyphenyl)-2-(4-methoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 3245430
7-(3,4-Dimethoxyphenyl)-2-(3-hydroxypropyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 5226398
7-(3,4-Dimethoxyphenyl)-5-methyl-2-phenyl-4H,7H-[1,2,4]triazolo[1,5-A]pyrimidine-6-carboxamide
CID 135515089
2-(3,4-dimethoxyphenyl)-N-(5-oxo-7-phenyl-3,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
CID 664902
7-(4-methoxyphenyl)-6,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5(3H)-one
CID 3419429

Frequently Asked Questions

What is the IUPAC name of 7-(4-methoxyphenyl)-2-propyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 7-(4-methoxyphenyl)-2-propyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one (CID 502189) is 7-(4-methoxyphenyl)-2-propyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 7-(4-methoxyphenyl)-2-propyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 7-(4-methoxyphenyl)-2-propyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one is CCCc1nc2n(n1)C(c1ccc(OC)cc1)CC(=O)N2.
What is the InChIKey of 7-(4-methoxyphenyl)-2-propyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The InChIKey is ICNUTLGDYQMPAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-3-4-13-16-15-17-14(20)9-12(19(15)18-13)10-5-7-11(21-2)8-6-10/h5-8,12H,3-4,9H2,1-2H3,(H,16,17,18,20).
What are the key properties of 7-(4-methoxyphenyl)-2-propyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
7-(4-methoxyphenyl)-2-propyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one has a molecular weight of 286.34 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methoxyphenyl)-2-propyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 502189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).