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

C15H18N8O — CID 150321245

IUPAC1-(5-methyl-1H-pyrazol-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[nH]1
InChIInChI=1S/C15H18N8O/c1-9(2)23-8-16-22-14(23)11-5-4-6-12(17-11)18-15(24)19-13-7-10(3)20-21-13/h4-9H,1-3H3,(H3,17,18,19,20,21,24)
InChIKeyGNRIHHWSJKGSQK-UHFFFAOYSA-N
MW326.36 g/mol
LogP2.60
Rot. Bonds4

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

1-(5-methyl-1H-pyrazol-3-yl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]urea (PubChem CID 150321245) has the molecular formula C15H18N8O and a molecular weight of 326.36 g/mol. Its IUPAC name is 1-(5-methyl-1H-pyrazol-3-yl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]urea.

Molecular Properties

Compound Name1-(5-methyl-1H-pyrazol-3-yl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]urea
PubChem CID150321245
Molecular FormulaC15H18N8O
Molecular Weight326.36 g/mol
Exact Mass326.16
IUPAC Name1-(5-methyl-1H-pyrazol-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[nH]1
InChIInChI=1S/C15H18N8O/c1-9(2)23-8-16-22-14(23)11-5-4-6-12(17-11)18-15(24)19-13-7-10(3)20-21-13/h4-9H,1-3H3,(H3,17,18,19,20,21,24)
InChIKeyGNRIHHWSJKGSQK-UHFFFAOYSA-N
XLogP2.60
TPSA113.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-(5-methyl-1H-pyrazol-3-yl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-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-methyl-1H-pyrazol-3-yl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]urea (CID 150321245) is 1-(5-methyl-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-methyl-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-methyl-1H-pyrazol-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[nH]1.
What is the InChIKey of 1-(5-methyl-1H-pyrazol-3-yl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]urea?
The InChIKey is GNRIHHWSJKGSQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N8O/c1-9(2)23-8-16-22-14(23)11-5-4-6-12(17-11)18-15(24)19-13-7-10(3)20-21-13/h4-9H,1-3H3,(H3,17,18,19,20,21,24).
What are the key properties of 1-(5-methyl-1H-pyrazol-3-yl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]urea?
1-(5-methyl-1H-pyrazol-3-yl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]urea has a molecular weight of 326.36 g/mol, XLogP of 2.60, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1H-pyrazol-3-yl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]urea is sourced from PubChem (CID 150321245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).