1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea

C15H22N8O — CID 71893318

IUPAC1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea
SMILESCC(NC(=O)NC1CCN(c2ncccn2)CC1)c1nncn1C
InChIInChI=1S/C15H22N8O/c1-11(13-21-18-10-22(13)2)19-15(24)20-12-4-8-23(9-5-12)14-16-6-3-7-17-14/h3,6-7,10-12H,4-5,8-9H2,1-2H3,(H2,19,20,24)
InChIKeyIICRXTCEBSZHCG-UHFFFAOYSA-N
MW330.40 g/mol
LogP0.63
Rot. Bonds4

About 1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea

1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea (PubChem CID 71893318) has the molecular formula C15H22N8O and a molecular weight of 330.40 g/mol. Its IUPAC name is 1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea.

Molecular Properties

Compound Name1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea
PubChem CID71893318
Molecular FormulaC15H22N8O
Molecular Weight330.40 g/mol
Exact Mass330.19
IUPAC Name1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea
SMILESCC(NC(=O)NC1CCN(c2ncccn2)CC1)c1nncn1C
InChIInChI=1S/C15H22N8O/c1-11(13-21-18-10-22(13)2)19-15(24)20-12-4-8-23(9-5-12)14-16-6-3-7-17-14/h3,6-7,10-12H,4-5,8-9H2,1-2H3,(H2,19,20,24)
InChIKeyIICRXTCEBSZHCG-UHFFFAOYSA-N
XLogP0.63
TPSA100.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.40
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea with MolForge

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Related Compounds

1-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea
CID 95272461
2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 64817909
1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea
CID 53498127
1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-(3-tricyclo[3.2.1.02,4]octanyl)urea
CID 71848247
3-chloro-2-methyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)propanamide
CID 62728860
1-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea
CID 94029201
1-[1-(2,4-dimethoxyphenyl)ethyl]-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea
CID 55746439
2-(methylamino)-N-(1-pyrimidin-2-ylpiperidin-4-yl)propanamide
CID 62639471
1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-(2-oxoazepan-3-yl)urea
CID 71893352
1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 154774048
N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]thiomorpholine-4-carboxamide
CID 94119922
1-[(R)-cyclopropyl(phenyl)methyl]-3-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 94047977

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea?
The IUPAC name of 1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea (CID 71893318) is 1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea.
What is the SMILES notation for 1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea?
The canonical SMILES for 1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea is CC(NC(=O)NC1CCN(c2ncccn2)CC1)c1nncn1C.
What is the InChIKey of 1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea?
The InChIKey is IICRXTCEBSZHCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N8O/c1-11(13-21-18-10-22(13)2)19-15(24)20-12-4-8-23(9-5-12)14-16-6-3-7-17-14/h3,6-7,10-12H,4-5,8-9H2,1-2H3,(H2,19,20,24).
What are the key properties of 1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea?
1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea has a molecular weight of 330.40 g/mol, XLogP of 0.63, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea is sourced from PubChem (CID 71893318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).