1-(cyclopentylmethyl)-4-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-2-one

C21H24N6O — CID 133390857

IUPAC1-(cyclopentylmethyl)-4-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-2-one
SMILESO=C1CN(c2cc(-c3ccccc3)nc3ncnn23)CCN1CC1CCCC1
InChIInChI=1S/C21H24N6O/c28-20-14-25(10-11-26(20)13-16-6-4-5-7-16)19-12-18(17-8-2-1-3-9-17)24-21-22-15-23-27(19)21/h1-3,8-9,12,15-16H,4-7,10-11,13-14H2
InChIKeyQMKONZBNQVHRSL-UHFFFAOYSA-N
MW376.46 g/mol
LogP2.63
Rot. Bonds4

About 1-(cyclopentylmethyl)-4-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-2-one

1-(cyclopentylmethyl)-4-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-2-one (PubChem CID 133390857) has the molecular formula C21H24N6O and a molecular weight of 376.46 g/mol. Its IUPAC name is 1-(cyclopentylmethyl)-4-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-2-one.

Molecular Properties

Compound Name1-(cyclopentylmethyl)-4-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-2-one
PubChem CID133390857
Molecular FormulaC21H24N6O
Molecular Weight376.46 g/mol
Exact Mass376.20
IUPAC Name1-(cyclopentylmethyl)-4-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-2-one
SMILESO=C1CN(c2cc(-c3ccccc3)nc3ncnn23)CCN1CC1CCCC1
InChIInChI=1S/C21H24N6O/c28-20-14-25(10-11-26(20)13-16-6-4-5-7-16)19-12-18(17-8-2-1-3-9-17)24-21-22-15-23-27(19)21/h1-3,8-9,12,15-16H,4-7,10-11,13-14H2
InChIKeyQMKONZBNQVHRSL-UHFFFAOYSA-N
XLogP2.63
TPSA66.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentylmethyl)-4-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-2-one?
The IUPAC name of 1-(cyclopentylmethyl)-4-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-2-one (CID 133390857) is 1-(cyclopentylmethyl)-4-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-2-one.
What is the SMILES notation for 1-(cyclopentylmethyl)-4-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-2-one?
The canonical SMILES for 1-(cyclopentylmethyl)-4-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-2-one is O=C1CN(c2cc(-c3ccccc3)nc3ncnn23)CCN1CC1CCCC1.
What is the InChIKey of 1-(cyclopentylmethyl)-4-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-2-one?
The InChIKey is QMKONZBNQVHRSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O/c28-20-14-25(10-11-26(20)13-16-6-4-5-7-16)19-12-18(17-8-2-1-3-9-17)24-21-22-15-23-27(19)21/h1-3,8-9,12,15-16H,4-7,10-11,13-14H2.
What are the key properties of 1-(cyclopentylmethyl)-4-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-2-one?
1-(cyclopentylmethyl)-4-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-2-one has a molecular weight of 376.46 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentylmethyl)-4-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-2-one is sourced from PubChem (CID 133390857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).