[2-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-2-oxoethyl]urea

C15H22N8O2 — CID 72883657

IUPAC[2-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-2-oxoethyl]urea
SMILESCn1c(Cn2cccn2)nnc1C1CCCN(C(=O)CNC(N)=O)C1
InChIInChI=1S/C15H22N8O2/c1-21-12(10-23-7-3-5-18-23)19-20-14(21)11-4-2-6-22(9-11)13(24)8-17-15(16)25/h3,5,7,11H,2,4,6,8-10H2,1H3,(H3,16,17,25)
InChIKeyXILZWEQUYCINKJ-UHFFFAOYSA-N
MW346.40 g/mol
LogP-0.57
Rot. Bonds5

About [2-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-2-oxoethyl]urea

[2-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-2-oxoethyl]urea (PubChem CID 72883657) has the molecular formula C15H22N8O2 and a molecular weight of 346.40 g/mol. Its IUPAC name is [2-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-2-oxoethyl]urea.

Molecular Properties

Compound Name[2-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-2-oxoethyl]urea
PubChem CID72883657
Molecular FormulaC15H22N8O2
Molecular Weight346.40 g/mol
Exact Mass346.19
IUPAC Name[2-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-2-oxoethyl]urea
SMILESCn1c(Cn2cccn2)nnc1C1CCCN(C(=O)CNC(N)=O)C1
InChIInChI=1S/C15H22N8O2/c1-21-12(10-23-7-3-5-18-23)19-20-14(21)11-4-2-6-22(9-11)13(24)8-17-15(16)25/h3,5,7,11H,2,4,6,8-10H2,1H3,(H3,16,17,25)
InChIKeyXILZWEQUYCINKJ-UHFFFAOYSA-N
XLogP-0.57
TPSA123.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.40
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [2-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-2-oxoethyl]urea with MolForge

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Related Compounds

(2-hydroxyphenyl)-[(3S)-3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
CID 97208763
[(3R)-3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-morpholin-4-ylmethanone
CID 97211159
(1-ethylpyrazol-4-yl)-[(3R)-3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
CID 97116928
[(3S)-3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-pyridazin-3-ylmethanone
CID 97124823
(2-amino-4-pyridinyl)-[(3R)-3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
CID 97198778
1-[(3S)-3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-2-pyrazol-1-ylethanone
CID 126453532
[(3R)-3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-(4-methylpyrimidin-5-yl)methanone
CID 97154995
(2,5-dimethylfuran-3-yl)-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
CID 72927455
3-[(3S)-3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carbonyl]-1H-pyridin-2-one
CID 97190806
4,4,4-trifluoro-1-[4-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]butan-1-one
CID 72839333
2-(methylamino)-1-[3-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone
CID 72927433
N-ethyl-3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carboxamide
CID 70732751

Frequently Asked Questions

What is the IUPAC name of [2-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-2-oxoethyl]urea?
The IUPAC name of [2-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-2-oxoethyl]urea (CID 72883657) is [2-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-2-oxoethyl]urea.
What is the SMILES notation for [2-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-2-oxoethyl]urea?
The canonical SMILES for [2-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-2-oxoethyl]urea is Cn1c(Cn2cccn2)nnc1C1CCCN(C(=O)CNC(N)=O)C1.
What is the InChIKey of [2-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-2-oxoethyl]urea?
The InChIKey is XILZWEQUYCINKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N8O2/c1-21-12(10-23-7-3-5-18-23)19-20-14(21)11-4-2-6-22(9-11)13(24)8-17-15(16)25/h3,5,7,11H,2,4,6,8-10H2,1H3,(H3,16,17,25).
What are the key properties of [2-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-2-oxoethyl]urea?
[2-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-2-oxoethyl]urea has a molecular weight of 346.40 g/mol, XLogP of -0.57, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-2-oxoethyl]urea is sourced from PubChem (CID 72883657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).