1-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-pyrazin-2-ylurea

C15H16N8O — CID 151115055

IUPAC1-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-pyrazin-2-ylurea
SMILESCC(C)n1cnnc1-c1cccc(NC(=O)Nc2cnccn2)n1
InChIInChI=1S/C15H16N8O/c1-10(2)23-9-18-22-14(23)11-4-3-5-12(19-11)20-15(24)21-13-8-16-6-7-17-13/h3-10H,1-2H3,(H2,17,19,20,21,24)
InChIKeyMQYYVVGXEINROI-UHFFFAOYSA-N
MW324.35 g/mol
LogP2.36
Rot. Bonds4

About 1-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-pyrazin-2-ylurea

1-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-pyrazin-2-ylurea (PubChem CID 151115055) has the molecular formula C15H16N8O and a molecular weight of 324.35 g/mol. Its IUPAC name is 1-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-pyrazin-2-ylurea.

Molecular Properties

Compound Name1-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-pyrazin-2-ylurea
PubChem CID151115055
Molecular FormulaC15H16N8O
Molecular Weight324.35 g/mol
Exact Mass324.14
IUPAC Name1-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-pyrazin-2-ylurea
SMILESCC(C)n1cnnc1-c1cccc(NC(=O)Nc2cnccn2)n1
InChIInChI=1S/C15H16N8O/c1-10(2)23-9-18-22-14(23)11-4-3-5-12(19-11)20-15(24)21-13-8-16-6-7-17-13/h3-10H,1-2H3,(H2,17,19,20,21,24)
InChIKeyMQYYVVGXEINROI-UHFFFAOYSA-N
XLogP2.36
TPSA110.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.35
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-pyrazin-2-ylurea with MolForge

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Related Compounds

4-Amino-3,5-di-2-pyridyl-4H-1,2,4-triazole
CID 571203
2-(4-methylpiperazin-1-yl)-N-[6-(1H-pyrazol-1-yl)-2-(pyridin-2-yl)pyrimidin-4-yl]acetamide
CID 24768411
N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(pyridin-2-yl)pyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide
CID 24768412
N-[4-(2-Methylimidazo[1,2-A]pyridin-3-YL)-2-pyrimidinyl]acetamide
CID 447652
US10407446, Example 13
CID 135151301
3-N-[4-(4-methylpiperazin-1-yl)phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine
CID 56593681
N-[2-methyl-6-[2-[(1-methylpyrazol-3-yl)amino]imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]acetamide
CID 62706655
N-[2-methyl-6-[2-[(1-methylpyrazol-3-yl)amino]imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]acetamide
CID 62706814
1-(1,5-Dimethylpyrazol-3-yl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]urea
CID 149678376
1-[5-(1-Methylpyrazol-3-yl)-2-pyridinyl]-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]urea
CID 149778753
1-[6-(4-Propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-pyrazolo[1,5-a]pyridin-2-ylurea
CID 149870563
1-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-(1H-pyrazol-5-yl)urea
CID 150079448

Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-pyrazin-2-ylurea?
The IUPAC name of 1-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-pyrazin-2-ylurea (CID 151115055) is 1-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-pyrazin-2-ylurea.
What is the SMILES notation for 1-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-pyrazin-2-ylurea?
The canonical SMILES for 1-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-pyrazin-2-ylurea is CC(C)n1cnnc1-c1cccc(NC(=O)Nc2cnccn2)n1.
What is the InChIKey of 1-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-pyrazin-2-ylurea?
The InChIKey is MQYYVVGXEINROI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N8O/c1-10(2)23-9-18-22-14(23)11-4-3-5-12(19-11)20-15(24)21-13-8-16-6-7-17-13/h3-10H,1-2H3,(H2,17,19,20,21,24).
What are the key properties of 1-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-pyrazin-2-ylurea?
1-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-pyrazin-2-ylurea has a molecular weight of 324.35 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-pyrazin-2-ylurea is sourced from PubChem (CID 151115055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).