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

C16H20N8O — CID 151982660

IUPAC1-(5-ethyl-1H-pyrazol-3-yl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]urea
SMILESCCc1cc(NC(=O)Nc2cccc(-c3nncn3C(C)C)n2)n[nH]1
InChIInChI=1S/C16H20N8O/c1-4-11-8-14(22-21-11)20-16(25)19-13-7-5-6-12(18-13)15-23-17-9-24(15)10(2)3/h5-10H,4H2,1-3H3,(H3,18,19,20,21,22,25)
InChIKeyUCZXUNSOCHCFSA-UHFFFAOYSA-N
MW340.39 g/mol
LogP2.85
Rot. Bonds5

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

1-(5-ethyl-1H-pyrazol-3-yl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]urea (PubChem CID 151982660) has the molecular formula C16H20N8O and a molecular weight of 340.39 g/mol. Its IUPAC name is 1-(5-ethyl-1H-pyrazol-3-yl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]urea.

Molecular Properties

Compound Name1-(5-ethyl-1H-pyrazol-3-yl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]urea
PubChem CID151982660
Molecular FormulaC16H20N8O
Molecular Weight340.39 g/mol
Exact Mass340.18
IUPAC Name1-(5-ethyl-1H-pyrazol-3-yl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]urea
SMILESCCc1cc(NC(=O)Nc2cccc(-c3nncn3C(C)C)n2)n[nH]1
InChIInChI=1S/C16H20N8O/c1-4-11-8-14(22-21-11)20-16(25)19-13-7-5-6-12(18-13)15-23-17-9-24(15)10(2)3/h5-10H,4H2,1-3H3,(H3,18,19,20,21,22,25)
InChIKeyUCZXUNSOCHCFSA-UHFFFAOYSA-N
XLogP2.85
TPSA113.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-1H-pyrazol-3-yl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]urea?
The IUPAC name of 1-(5-ethyl-1H-pyrazol-3-yl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]urea (CID 151982660) is 1-(5-ethyl-1H-pyrazol-3-yl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]urea.
What is the SMILES notation for 1-(5-ethyl-1H-pyrazol-3-yl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]urea?
The canonical SMILES for 1-(5-ethyl-1H-pyrazol-3-yl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]urea is CCc1cc(NC(=O)Nc2cccc(-c3nncn3C(C)C)n2)n[nH]1.
What is the InChIKey of 1-(5-ethyl-1H-pyrazol-3-yl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]urea?
The InChIKey is UCZXUNSOCHCFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N8O/c1-4-11-8-14(22-21-11)20-16(25)19-13-7-5-6-12(18-13)15-23-17-9-24(15)10(2)3/h5-10H,4H2,1-3H3,(H3,18,19,20,21,22,25).
What are the key properties of 1-(5-ethyl-1H-pyrazol-3-yl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]urea?
1-(5-ethyl-1H-pyrazol-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 2.85, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-1H-pyrazol-3-yl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]urea is sourced from PubChem (CID 151982660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).