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

C16H18N8O — CID 32646366

IUPAC(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
SMILESCc1cc(C)n2nc(C(=O)N3CCN(c4cnccn4)CC3)nc2n1
InChIInChI=1S/C16H18N8O/c1-11-9-12(2)24-16(19-11)20-14(21-24)15(25)23-7-5-22(6-8-23)13-10-17-3-4-18-13/h3-4,9-10H,5-8H2,1-2H3
InChIKeyIFTSRKFCRTZIRP-UHFFFAOYSA-N
MW338.38 g/mol
LogP0.49
Rot. Bonds2

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

(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone (PubChem CID 32646366) has the molecular formula C16H18N8O and a molecular weight of 338.38 g/mol. Its IUPAC name is (5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
PubChem CID32646366
Molecular FormulaC16H18N8O
Molecular Weight338.38 g/mol
Exact Mass338.16
IUPAC Name(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
SMILESCc1cc(C)n2nc(C(=O)N3CCN(c4cnccn4)CC3)nc2n1
InChIInChI=1S/C16H18N8O/c1-11-9-12(2)24-16(19-11)20-14(21-24)15(25)23-7-5-22(6-8-23)13-10-17-3-4-18-13/h3-4,9-10H,5-8H2,1-2H3
InChIKeyIFTSRKFCRTZIRP-UHFFFAOYSA-N
XLogP0.49
TPSA92.41 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 26783475
(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[(3S)-3-pyrazin-2-yloxypyrrolidin-1-yl]methanone
CID 100753890
[4-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)piperazin-1-yl]-phenylmethanone
CID 31188652
(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[(3S)-3-pyrazin-2-yloxypiperidin-1-yl]methanone
CID 100647018
(3,5-dimethylphenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 42023194
(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]methanone
CID 96500853
(2,6-dimethylquinolin-4-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 18145987
(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 26900188
(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 31328201
[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone
CID 31281697
[(9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone
CID 95590090
(2,3-dimethylphenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 42023215

Frequently Asked Questions

What is the IUPAC name of (5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone (CID 32646366) is (5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone is Cc1cc(C)n2nc(C(=O)N3CCN(c4cnccn4)CC3)nc2n1.
What is the InChIKey of (5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
The InChIKey is IFTSRKFCRTZIRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N8O/c1-11-9-12(2)24-16(19-11)20-14(21-24)15(25)23-7-5-22(6-8-23)13-10-17-3-4-18-13/h3-4,9-10H,5-8H2,1-2H3.
What are the key properties of (5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone has a molecular weight of 338.38 g/mol, XLogP of 0.49, 2 rotatable bonds, 0 hydrogen bond donors, and 8 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-pyrazin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 32646366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).