(2,4-dimethylphenyl)-(3-pyrazin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone

C18H18N6O — CID 67969925

IUPAC(2,4-dimethylphenyl)-(3-pyrazin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
SMILESCc1ccc(C(=O)N2CCn3c(nnc3-c3cnccn3)C2)c(C)c1
InChIInChI=1S/C18H18N6O/c1-12-3-4-14(13(2)9-12)18(25)23-7-8-24-16(11-23)21-22-17(24)15-10-19-5-6-20-15/h3-6,9-10H,7-8,11H2,1-2H3
InChIKeyOBOUOSPFQNETAP-UHFFFAOYSA-N
MW334.38 g/mol
LogP2.01
Rot. Bonds2

About (2,4-dimethylphenyl)-(3-pyrazin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone

(2,4-dimethylphenyl)-(3-pyrazin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone (PubChem CID 67969925) has the molecular formula C18H18N6O and a molecular weight of 334.38 g/mol. Its IUPAC name is (2,4-dimethylphenyl)-(3-pyrazin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone.

Molecular Properties

Compound Name(2,4-dimethylphenyl)-(3-pyrazin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
PubChem CID67969925
Molecular FormulaC18H18N6O
Molecular Weight334.38 g/mol
Exact Mass334.15
IUPAC Name(2,4-dimethylphenyl)-(3-pyrazin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
SMILESCc1ccc(C(=O)N2CCn3c(nnc3-c3cnccn3)C2)c(C)c1
InChIInChI=1S/C18H18N6O/c1-12-3-4-14(13(2)9-12)18(25)23-7-8-24-16(11-23)21-22-17(24)15-10-19-5-6-20-15/h3-6,9-10H,7-8,11H2,1-2H3
InChIKeyOBOUOSPFQNETAP-UHFFFAOYSA-N
XLogP2.01
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2,4-dimethylphenyl)-(3-pyrazin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone?
The IUPAC name of (2,4-dimethylphenyl)-(3-pyrazin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone (CID 67969925) is (2,4-dimethylphenyl)-(3-pyrazin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone.
What is the SMILES notation for (2,4-dimethylphenyl)-(3-pyrazin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone?
The canonical SMILES for (2,4-dimethylphenyl)-(3-pyrazin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone is Cc1ccc(C(=O)N2CCn3c(nnc3-c3cnccn3)C2)c(C)c1.
What is the InChIKey of (2,4-dimethylphenyl)-(3-pyrazin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone?
The InChIKey is OBOUOSPFQNETAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O/c1-12-3-4-14(13(2)9-12)18(25)23-7-8-24-16(11-23)21-22-17(24)15-10-19-5-6-20-15/h3-6,9-10H,7-8,11H2,1-2H3.
What are the key properties of (2,4-dimethylphenyl)-(3-pyrazin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone?
(2,4-dimethylphenyl)-(3-pyrazin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone has a molecular weight of 334.38 g/mol, XLogP of 2.01, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethylphenyl)-(3-pyrazin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone is sourced from PubChem (CID 67969925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).