1-(2,5-dimethylpyrazol-3-yl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]urea

C16H20N8O — CID 150352072

IUPAC1-(2,5-dimethylpyrazol-3-yl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]urea
SMILESCc1cc(NC(=O)Nc2cccc(-c3nncn3C(C)C)n2)n(C)n1
InChIInChI=1S/C16H20N8O/c1-10(2)24-9-17-21-15(24)12-6-5-7-13(18-12)19-16(25)20-14-8-11(3)22-23(14)4/h5-10H,1-4H3,(H2,18,19,20,25)
InChIKeyGTYDUOIXZYYTLL-UHFFFAOYSA-N
MW340.39 g/mol
LogP2.61
Rot. Bonds4

About 1-(2,5-dimethylpyrazol-3-yl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]urea

1-(2,5-dimethylpyrazol-3-yl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]urea (PubChem CID 150352072) has the molecular formula C16H20N8O and a molecular weight of 340.39 g/mol. Its IUPAC name is 1-(2,5-dimethylpyrazol-3-yl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]urea.

Molecular Properties

Compound Name1-(2,5-dimethylpyrazol-3-yl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]urea
PubChem CID150352072
Molecular FormulaC16H20N8O
Molecular Weight340.39 g/mol
Exact Mass340.18
IUPAC Name1-(2,5-dimethylpyrazol-3-yl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]urea
SMILESCc1cc(NC(=O)Nc2cccc(-c3nncn3C(C)C)n2)n(C)n1
InChIInChI=1S/C16H20N8O/c1-10(2)24-9-17-21-15(24)12-6-5-7-13(18-12)19-16(25)20-14-8-11(3)22-23(14)4/h5-10H,1-4H3,(H2,18,19,20,25)
InChIKeyGTYDUOIXZYYTLL-UHFFFAOYSA-N
XLogP2.61
TPSA102.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]urea?
The IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]urea (CID 150352072) is 1-(2,5-dimethylpyrazol-3-yl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]urea.
What is the SMILES notation for 1-(2,5-dimethylpyrazol-3-yl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]urea?
The canonical SMILES for 1-(2,5-dimethylpyrazol-3-yl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]urea is Cc1cc(NC(=O)Nc2cccc(-c3nncn3C(C)C)n2)n(C)n1.
What is the InChIKey of 1-(2,5-dimethylpyrazol-3-yl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]urea?
The InChIKey is GTYDUOIXZYYTLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N8O/c1-10(2)24-9-17-21-15(24)12-6-5-7-13(18-12)19-16(25)20-14-8-11(3)22-23(14)4/h5-10H,1-4H3,(H2,18,19,20,25).
What are the key properties of 1-(2,5-dimethylpyrazol-3-yl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]urea?
1-(2,5-dimethylpyrazol-3-yl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]urea has a molecular weight of 340.39 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylpyrazol-3-yl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]urea is sourced from PubChem (CID 150352072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).