(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone

C19H22N6O2 — CID 2458261

IUPAC(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccc(N2CCN(C(=O)c3nc4nc(C)cc(C)n4n3)CC2)cc1
InChIInChI=1S/C19H22N6O2/c1-13-12-14(2)25-19(20-13)21-17(22-25)18(26)24-10-8-23(9-11-24)15-4-6-16(27-3)7-5-15/h4-7,12H,8-11H2,1-3H3
InChIKeyHLFGCMJVSIVZBL-UHFFFAOYSA-N
MW366.43 g/mol
LogP1.71
Rot. Bonds3

About (5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone

(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone (PubChem CID 2458261) has the molecular formula C19H22N6O2 and a molecular weight of 366.43 g/mol. Its IUPAC name is (5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
PubChem CID2458261
Molecular FormulaC19H22N6O2
Molecular Weight366.43 g/mol
Exact Mass366.18
IUPAC Name(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccc(N2CCN(C(=O)c3nc4nc(C)cc(C)n4n3)CC2)cc1
InChIInChI=1S/C19H22N6O2/c1-13-12-14(2)25-19(20-13)21-17(22-25)18(26)24-10-8-23(9-11-24)15-4-6-16(27-3)7-5-15/h4-7,12H,8-11H2,1-3H3
InChIKeyHLFGCMJVSIVZBL-UHFFFAOYSA-N
XLogP1.71
TPSA75.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of (5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone (CID 2458261) is (5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for (5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone is COc1ccc(N2CCN(C(=O)c3nc4nc(C)cc(C)n4n3)CC2)cc1.
What is the InChIKey of (5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone?
The InChIKey is HLFGCMJVSIVZBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2/c1-13-12-14(2)25-19(20-13)21-17(22-25)18(26)24-10-8-23(9-11-24)15-4-6-16(27-3)7-5-15/h4-7,12H,8-11H2,1-3H3.
What are the key properties of (5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone?
(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone has a molecular weight of 366.43 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 2458261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).