1-pyrazin-2-yl-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]urea

C18H22N4O — CID 108893816

IUPAC1-pyrazin-2-yl-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]urea
SMILESCCC(NC(=O)Nc1cnccn1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C18H22N4O/c1-2-16(21-18(23)22-17-12-19-9-10-20-17)15-8-7-13-5-3-4-6-14(13)11-15/h7-12,16H,2-6H2,1H3,(H2,20,21,22,23)
InChIKeyFYQBZRZEFLOZGG-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.63
Rot. Bonds4

About 1-pyrazin-2-yl-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]urea

1-pyrazin-2-yl-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]urea (PubChem CID 108893816) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 1-pyrazin-2-yl-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]urea.

Molecular Properties

Compound Name1-pyrazin-2-yl-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]urea
PubChem CID108893816
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name1-pyrazin-2-yl-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]urea
SMILESCCC(NC(=O)Nc1cnccn1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C18H22N4O/c1-2-16(21-18(23)22-17-12-19-9-10-20-17)15-8-7-13-5-3-4-6-14(13)11-15/h7-12,16H,2-6H2,1H3,(H2,20,21,22,23)
InChIKeyFYQBZRZEFLOZGG-UHFFFAOYSA-N
XLogP3.63
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]pyrazine-2-carboxamide
CID 108796805
N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]propanamide
CID 127117899
1-phenyl-3-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]urea
CID 99975074
1-phenyl-3-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]urea
CID 99975075
1-(2-methoxyphenyl)-3-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]urea
CID 99975029
1-(1-methyl-5-phenylpyrazol-3-yl)-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]urea
CID 108812939
1-(2-fluorophenyl)-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]urea
CID 108866819
N-(3,4-diethoxyphenyl)-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]oxamide
CID 108510735
1-(2,3-dihydro-1H-inden-5-yl)-3-[1-(4-methylphenyl)propyl]urea
CID 17249377
1-(2,3-dihydro-1H-inden-5-yl)-3-[(1S)-1-(4-methylphenyl)propyl]urea
CID 29057320
1-(2,3-dihydro-1H-inden-5-yl)-3-[(1R)-1-(4-propan-2-ylphenyl)propyl]urea
CID 29057333
6-oxo-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]-1H-pyridazine-3-carboxamide
CID 108793483

Frequently Asked Questions

What is the IUPAC name of 1-pyrazin-2-yl-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]urea?
The IUPAC name of 1-pyrazin-2-yl-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]urea (CID 108893816) is 1-pyrazin-2-yl-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]urea.
What is the SMILES notation for 1-pyrazin-2-yl-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]urea?
The canonical SMILES for 1-pyrazin-2-yl-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]urea is CCC(NC(=O)Nc1cnccn1)c1ccc2c(c1)CCCC2.
What is the InChIKey of 1-pyrazin-2-yl-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]urea?
The InChIKey is FYQBZRZEFLOZGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-2-16(21-18(23)22-17-12-19-9-10-20-17)15-8-7-13-5-3-4-6-14(13)11-15/h7-12,16H,2-6H2,1H3,(H2,20,21,22,23).
What are the key properties of 1-pyrazin-2-yl-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]urea?
1-pyrazin-2-yl-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]urea has a molecular weight of 310.40 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrazin-2-yl-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]urea is sourced from PubChem (CID 108893816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).