4-[5-(5-methylpyrazin-2-yl)-1-propyl-1,2,4-triazol-3-yl]benzamide

C17H18N6O — CID 72895143

IUPAC4-[5-(5-methylpyrazin-2-yl)-1-propyl-1,2,4-triazol-3-yl]benzamide
SMILESCCCn1nc(-c2ccc(C(N)=O)cc2)nc1-c1cnc(C)cn1
InChIInChI=1S/C17H18N6O/c1-3-8-23-17(14-10-19-11(2)9-20-14)21-16(22-23)13-6-4-12(5-7-13)15(18)24/h4-7,9-10H,3,8H2,1-2H3,(H2,18,24)
InChIKeyDGUVSSJDLHEGTO-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.22
Rot. Bonds5

About 4-[5-(5-methylpyrazin-2-yl)-1-propyl-1,2,4-triazol-3-yl]benzamide

4-[5-(5-methylpyrazin-2-yl)-1-propyl-1,2,4-triazol-3-yl]benzamide (PubChem CID 72895143) has the molecular formula C17H18N6O and a molecular weight of 322.37 g/mol. Its IUPAC name is 4-[5-(5-methylpyrazin-2-yl)-1-propyl-1,2,4-triazol-3-yl]benzamide.

Molecular Properties

Compound Name4-[5-(5-methylpyrazin-2-yl)-1-propyl-1,2,4-triazol-3-yl]benzamide
PubChem CID72895143
Molecular FormulaC17H18N6O
Molecular Weight322.37 g/mol
Exact Mass322.15
IUPAC Name4-[5-(5-methylpyrazin-2-yl)-1-propyl-1,2,4-triazol-3-yl]benzamide
SMILESCCCn1nc(-c2ccc(C(N)=O)cc2)nc1-c1cnc(C)cn1
InChIInChI=1S/C17H18N6O/c1-3-8-23-17(14-10-19-11(2)9-20-14)21-16(22-23)13-6-4-12(5-7-13)15(18)24/h4-7,9-10H,3,8H2,1-2H3,(H2,18,24)
InChIKeyDGUVSSJDLHEGTO-UHFFFAOYSA-N
XLogP2.22
TPSA99.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(5-methylpyrazin-2-yl)-1-propyl-1,2,4-triazol-3-yl]benzamide?
The IUPAC name of 4-[5-(5-methylpyrazin-2-yl)-1-propyl-1,2,4-triazol-3-yl]benzamide (CID 72895143) is 4-[5-(5-methylpyrazin-2-yl)-1-propyl-1,2,4-triazol-3-yl]benzamide.
What is the SMILES notation for 4-[5-(5-methylpyrazin-2-yl)-1-propyl-1,2,4-triazol-3-yl]benzamide?
The canonical SMILES for 4-[5-(5-methylpyrazin-2-yl)-1-propyl-1,2,4-triazol-3-yl]benzamide is CCCn1nc(-c2ccc(C(N)=O)cc2)nc1-c1cnc(C)cn1.
What is the InChIKey of 4-[5-(5-methylpyrazin-2-yl)-1-propyl-1,2,4-triazol-3-yl]benzamide?
The InChIKey is DGUVSSJDLHEGTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O/c1-3-8-23-17(14-10-19-11(2)9-20-14)21-16(22-23)13-6-4-12(5-7-13)15(18)24/h4-7,9-10H,3,8H2,1-2H3,(H2,18,24).
What are the key properties of 4-[5-(5-methylpyrazin-2-yl)-1-propyl-1,2,4-triazol-3-yl]benzamide?
4-[5-(5-methylpyrazin-2-yl)-1-propyl-1,2,4-triazol-3-yl]benzamide has a molecular weight of 322.37 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(5-methylpyrazin-2-yl)-1-propyl-1,2,4-triazol-3-yl]benzamide is sourced from PubChem (CID 72895143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).