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

C17H20N4O — CID 118782884

IUPAC1-[(5-methylpyrazin-2-yl)methyl]-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
SMILESCc1cnc(CNC(=O)Nc2cccc3c2CCCC3)cn1
InChIInChI=1S/C17H20N4O/c1-12-9-19-14(10-18-12)11-20-17(22)21-16-8-4-6-13-5-2-3-7-15(13)16/h4,6,8-10H,2-3,5,7,11H2,1H3,(H2,20,21,22)
InChIKeyIFVCEANTJQOIGU-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.99
Rot. Bonds3

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

1-[(5-methylpyrazin-2-yl)methyl]-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea (PubChem CID 118782884) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is 1-[(5-methylpyrazin-2-yl)methyl]-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea.

Molecular Properties

Compound Name1-[(5-methylpyrazin-2-yl)methyl]-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
PubChem CID118782884
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name1-[(5-methylpyrazin-2-yl)methyl]-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
SMILESCc1cnc(CNC(=O)Nc2cccc3c2CCCC3)cn1
InChIInChI=1S/C17H20N4O/c1-12-9-19-14(10-18-12)11-20-17(22)21-16-8-4-6-13-5-2-3-7-15(13)16/h4,6,8-10H,2-3,5,7,11H2,1H3,(H2,20,21,22)
InChIKeyIFVCEANTJQOIGU-UHFFFAOYSA-N
XLogP2.99
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-methylpyrazin-2-yl)methyl]-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea?
The IUPAC name of 1-[(5-methylpyrazin-2-yl)methyl]-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea (CID 118782884) is 1-[(5-methylpyrazin-2-yl)methyl]-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea.
What is the SMILES notation for 1-[(5-methylpyrazin-2-yl)methyl]-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea?
The canonical SMILES for 1-[(5-methylpyrazin-2-yl)methyl]-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea is Cc1cnc(CNC(=O)Nc2cccc3c2CCCC3)cn1.
What is the InChIKey of 1-[(5-methylpyrazin-2-yl)methyl]-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea?
The InChIKey is IFVCEANTJQOIGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-12-9-19-14(10-18-12)11-20-17(22)21-16-8-4-6-13-5-2-3-7-15(13)16/h4,6,8-10H,2-3,5,7,11H2,1H3,(H2,20,21,22).
What are the key properties of 1-[(5-methylpyrazin-2-yl)methyl]-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea?
1-[(5-methylpyrazin-2-yl)methyl]-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea has a molecular weight of 296.37 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methylpyrazin-2-yl)methyl]-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea is sourced from PubChem (CID 118782884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).