1-(1-propyltriazol-4-yl)-3-(1-pyrazin-2-ylpiperidin-4-yl)urea

C15H22N8O — CID 118789447

IUPAC1-(1-propyltriazol-4-yl)-3-(1-pyrazin-2-ylpiperidin-4-yl)urea
SMILESCCCn1cc(NC(=O)NC2CCN(c3cnccn3)CC2)nn1
InChIInChI=1S/C15H22N8O/c1-2-7-23-11-13(20-21-23)19-15(24)18-12-3-8-22(9-4-12)14-10-16-5-6-17-14/h5-6,10-12H,2-4,7-9H2,1H3,(H2,18,19,24)
InChIKeySXMOLKMOPPPBQR-UHFFFAOYSA-N
MW330.40 g/mol
LogP1.27
Rot. Bonds5

About 1-(1-propyltriazol-4-yl)-3-(1-pyrazin-2-ylpiperidin-4-yl)urea

1-(1-propyltriazol-4-yl)-3-(1-pyrazin-2-ylpiperidin-4-yl)urea (PubChem CID 118789447) has the molecular formula C15H22N8O and a molecular weight of 330.40 g/mol. Its IUPAC name is 1-(1-propyltriazol-4-yl)-3-(1-pyrazin-2-ylpiperidin-4-yl)urea.

Molecular Properties

Compound Name1-(1-propyltriazol-4-yl)-3-(1-pyrazin-2-ylpiperidin-4-yl)urea
PubChem CID118789447
Molecular FormulaC15H22N8O
Molecular Weight330.40 g/mol
Exact Mass330.19
IUPAC Name1-(1-propyltriazol-4-yl)-3-(1-pyrazin-2-ylpiperidin-4-yl)urea
SMILESCCCn1cc(NC(=O)NC2CCN(c3cnccn3)CC2)nn1
InChIInChI=1S/C15H22N8O/c1-2-7-23-11-13(20-21-23)19-15(24)18-12-3-8-22(9-4-12)14-10-16-5-6-17-14/h5-6,10-12H,2-4,7-9H2,1H3,(H2,18,19,24)
InChIKeySXMOLKMOPPPBQR-UHFFFAOYSA-N
XLogP1.27
TPSA100.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.40
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-(4-ethylsulfanylphenyl)-3-(1-pyrazin-2-ylpiperidin-4-yl)urea
CID 118779226
1-[2-[(2R)-pentan-2-yl]pyrazol-3-yl]-3-(1-pyrazin-2-ylpiperidin-4-yl)urea
CID 125163687
methyl 4-[(1-pyrazin-2-ylpiperidin-4-yl)carbamoylamino]benzoate
CID 118790178
1-[2-[[(1R)-cyclohex-3-en-1-yl]methyl]pyrazol-3-yl]-3-(1-pyrazin-2-ylpiperidin-4-yl)urea
CID 125179560
1-(2-methyl-1,3-benzothiazol-5-yl)-3-(1-pyrazin-2-ylpiperidin-4-yl)urea
CID 118784685
N-ethyl-N-methyl-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 134005797
N-(2-methylbutan-2-yl)-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 3222636
1-pyrazin-2-yl-N-(1-pyrimidin-2-ylpiperidin-4-yl)piperidine-4-carboxamide
CID 23609685
3-methyl-N-(1-pyrazin-2-ylpiperidin-4-yl)imidazo[4,5-b]pyridine-6-carboxamide
CID 176501776
3-phenoxy-N-(1-pyrazin-2-ylpiperidin-4-yl)propanamide
CID 118780415
N-(1-pyrazin-2-ylpiperidin-4-yl)thiophene-3-carboxamide
CID 133273014
6-oxo-N-(1-pyrazin-2-ylpiperidin-4-yl)-1H-pyrazine-3-carboxamide
CID 118792476

Frequently Asked Questions

What is the IUPAC name of 1-(1-propyltriazol-4-yl)-3-(1-pyrazin-2-ylpiperidin-4-yl)urea?
The IUPAC name of 1-(1-propyltriazol-4-yl)-3-(1-pyrazin-2-ylpiperidin-4-yl)urea (CID 118789447) is 1-(1-propyltriazol-4-yl)-3-(1-pyrazin-2-ylpiperidin-4-yl)urea.
What is the SMILES notation for 1-(1-propyltriazol-4-yl)-3-(1-pyrazin-2-ylpiperidin-4-yl)urea?
The canonical SMILES for 1-(1-propyltriazol-4-yl)-3-(1-pyrazin-2-ylpiperidin-4-yl)urea is CCCn1cc(NC(=O)NC2CCN(c3cnccn3)CC2)nn1.
What is the InChIKey of 1-(1-propyltriazol-4-yl)-3-(1-pyrazin-2-ylpiperidin-4-yl)urea?
The InChIKey is SXMOLKMOPPPBQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N8O/c1-2-7-23-11-13(20-21-23)19-15(24)18-12-3-8-22(9-4-12)14-10-16-5-6-17-14/h5-6,10-12H,2-4,7-9H2,1H3,(H2,18,19,24).
What are the key properties of 1-(1-propyltriazol-4-yl)-3-(1-pyrazin-2-ylpiperidin-4-yl)urea?
1-(1-propyltriazol-4-yl)-3-(1-pyrazin-2-ylpiperidin-4-yl)urea has a molecular weight of 330.40 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-propyltriazol-4-yl)-3-(1-pyrazin-2-ylpiperidin-4-yl)urea is sourced from PubChem (CID 118789447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).