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

C17H17N5OS — CID 56778772

IUPAC(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-(2-methyl-6-thiophen-3-yl-3-pyridinyl)methanone
SMILESCc1nc(-c2ccsc2)ccc1C(=O)N1CCn2c(C)nnc2C1
InChIInChI=1S/C17H17N5OS/c1-11-14(3-4-15(18-11)13-5-8-24-10-13)17(23)21-6-7-22-12(2)19-20-16(22)9-21/h3-5,8,10H,6-7,9H2,1-2H3
InChIKeyMRZGBEPGAVWALM-UHFFFAOYSA-N
MW339.42 g/mol
LogP2.67
Rot. Bonds2

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

(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-(2-methyl-6-thiophen-3-yl-3-pyridinyl)methanone (PubChem CID 56778772) has the molecular formula C17H17N5OS and a molecular weight of 339.42 g/mol. Its IUPAC name is (3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-(2-methyl-6-thiophen-3-yl-3-pyridinyl)methanone.

Molecular Properties

Compound Name(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-(2-methyl-6-thiophen-3-yl-3-pyridinyl)methanone
PubChem CID56778772
Molecular FormulaC17H17N5OS
Molecular Weight339.42 g/mol
Exact Mass339.12
IUPAC Name(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-(2-methyl-6-thiophen-3-yl-3-pyridinyl)methanone
SMILESCc1nc(-c2ccsc2)ccc1C(=O)N1CCn2c(C)nnc2C1
InChIInChI=1S/C17H17N5OS/c1-11-14(3-4-15(18-11)13-5-8-24-10-13)17(23)21-6-7-22-12(2)19-20-16(22)9-21/h3-5,8,10H,6-7,9H2,1-2H3
InChIKeyMRZGBEPGAVWALM-UHFFFAOYSA-N
XLogP2.67
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-(2-methyl-6-thiophen-3-yl-3-pyridinyl)methanone?
The IUPAC name of (3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-(2-methyl-6-thiophen-3-yl-3-pyridinyl)methanone (CID 56778772) is (3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-(2-methyl-6-thiophen-3-yl-3-pyridinyl)methanone.
What is the SMILES notation for (3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-(2-methyl-6-thiophen-3-yl-3-pyridinyl)methanone?
The canonical SMILES for (3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-(2-methyl-6-thiophen-3-yl-3-pyridinyl)methanone is Cc1nc(-c2ccsc2)ccc1C(=O)N1CCn2c(C)nnc2C1.
What is the InChIKey of (3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-(2-methyl-6-thiophen-3-yl-3-pyridinyl)methanone?
The InChIKey is MRZGBEPGAVWALM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5OS/c1-11-14(3-4-15(18-11)13-5-8-24-10-13)17(23)21-6-7-22-12(2)19-20-16(22)9-21/h3-5,8,10H,6-7,9H2,1-2H3.
What are the key properties of (3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-(2-methyl-6-thiophen-3-yl-3-pyridinyl)methanone?
(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-(2-methyl-6-thiophen-3-yl-3-pyridinyl)methanone has a molecular weight of 339.42 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-(2-methyl-6-thiophen-3-yl-3-pyridinyl)methanone is sourced from PubChem (CID 56778772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).