5-propan-2-yl-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]thiophene-3-carboxamide

C15H16N6OS — CID 90650267

IUPAC5-propan-2-yl-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]thiophene-3-carboxamide
SMILESCC(C)c1cc(C(=O)NCc2nc(-c3cnccn3)n[nH]2)cs1
InChIInChI=1S/C15H16N6OS/c1-9(2)12-5-10(8-23-12)15(22)18-7-13-19-14(21-20-13)11-6-16-3-4-17-11/h3-6,8-9H,7H2,1-2H3,(H,18,22)(H,19,20,21)
InChIKeyXZBQIEDDJOBAQP-UHFFFAOYSA-N
MW328.40 g/mol
LogP2.38
Rot. Bonds5

About 5-propan-2-yl-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]thiophene-3-carboxamide

5-propan-2-yl-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]thiophene-3-carboxamide (PubChem CID 90650267) has the molecular formula C15H16N6OS and a molecular weight of 328.40 g/mol. Its IUPAC name is 5-propan-2-yl-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-propan-2-yl-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]thiophene-3-carboxamide
PubChem CID90650267
Molecular FormulaC15H16N6OS
Molecular Weight328.40 g/mol
Exact Mass328.11
IUPAC Name5-propan-2-yl-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]thiophene-3-carboxamide
SMILESCC(C)c1cc(C(=O)NCc2nc(-c3cnccn3)n[nH]2)cs1
InChIInChI=1S/C15H16N6OS/c1-9(2)12-5-10(8-23-12)15(22)18-7-13-19-14(21-20-13)11-6-16-3-4-17-11/h3-6,8-9H,7H2,1-2H3,(H,18,22)(H,19,20,21)
InChIKeyXZBQIEDDJOBAQP-UHFFFAOYSA-N
XLogP2.38
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-chloropyrazol-1-yl)-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]propanamide
CID 119066893
4-[(5-methyltetrazol-1-yl)methyl]-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]benzamide
CID 119062894
5-methyl-4-oxo-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 146047046
3-(3-methoxyphenyl)-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]propanamide
CID 77090946
N-tert-butyl-2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)acetamide
CID 43833009
N-[3-(dimethylamino)propyl]-2-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)acetamide
CID 43833127
2-[2-(2-methylpropyl)benzimidazol-1-yl]-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]propanamide
CID 119060332
2-methyl-N-[(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)methyl]propanamide
CID 73440586
5-methyl-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]pyrazine-2-carboxamide
CID 46958783
3-phenoxy-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]benzamide
CID 117074450
N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]-1,3-thiazole-2-carboxamide
CID 25106890
5-propan-2-yl-N-pyridin-3-ylthiophene-3-carboxamide
CID 25237024

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]thiophene-3-carboxamide?
The IUPAC name of 5-propan-2-yl-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]thiophene-3-carboxamide (CID 90650267) is 5-propan-2-yl-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-propan-2-yl-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]thiophene-3-carboxamide?
The canonical SMILES for 5-propan-2-yl-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]thiophene-3-carboxamide is CC(C)c1cc(C(=O)NCc2nc(-c3cnccn3)n[nH]2)cs1.
What is the InChIKey of 5-propan-2-yl-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]thiophene-3-carboxamide?
The InChIKey is XZBQIEDDJOBAQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6OS/c1-9(2)12-5-10(8-23-12)15(22)18-7-13-19-14(21-20-13)11-6-16-3-4-17-11/h3-6,8-9H,7H2,1-2H3,(H,18,22)(H,19,20,21).
What are the key properties of 5-propan-2-yl-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]thiophene-3-carboxamide?
5-propan-2-yl-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]thiophene-3-carboxamide has a molecular weight of 328.40 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]thiophene-3-carboxamide is sourced from PubChem (CID 90650267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).