1-[(1R)-1-(hydroxymethyl)-3,4-dihydro-2H-naphthalen-1-yl]-3-(4-methyl-3-oxopyrazin-2-yl)urea

C17H20N4O3 — CID 125141118

IUPAC1-[(1R)-1-(hydroxymethyl)-3,4-dihydro-2H-naphthalen-1-yl]-3-(4-methyl-3-oxopyrazin-2-yl)urea
SMILESCn1ccnc(NC(=O)N[C@]2(CO)CCCc3ccccc32)c1=O
InChIInChI=1S/C17H20N4O3/c1-21-10-9-18-14(15(21)23)19-16(24)20-17(11-22)8-4-6-12-5-2-3-7-13(12)17/h2-3,5,7,9-10,22H,4,6,8,11H2,1H3,(H2,18,19,20,24)/t17-/m0/s1
InChIKeyQDWRTUAFLLXBRI-KRWDZBQOSA-N
MW328.37 g/mol
LogP1.13
Rot. Bonds3

About 1-[(1R)-1-(hydroxymethyl)-3,4-dihydro-2H-naphthalen-1-yl]-3-(4-methyl-3-oxopyrazin-2-yl)urea

1-[(1R)-1-(hydroxymethyl)-3,4-dihydro-2H-naphthalen-1-yl]-3-(4-methyl-3-oxopyrazin-2-yl)urea (PubChem CID 125141118) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is 1-[(1R)-1-(hydroxymethyl)-3,4-dihydro-2H-naphthalen-1-yl]-3-(4-methyl-3-oxopyrazin-2-yl)urea.

Molecular Properties

Compound Name1-[(1R)-1-(hydroxymethyl)-3,4-dihydro-2H-naphthalen-1-yl]-3-(4-methyl-3-oxopyrazin-2-yl)urea
PubChem CID125141118
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name1-[(1R)-1-(hydroxymethyl)-3,4-dihydro-2H-naphthalen-1-yl]-3-(4-methyl-3-oxopyrazin-2-yl)urea
SMILESCn1ccnc(NC(=O)N[C@]2(CO)CCCc3ccccc32)c1=O
InChIInChI=1S/C17H20N4O3/c1-21-10-9-18-14(15(21)23)19-16(24)20-17(11-22)8-4-6-12-5-2-3-7-13(12)17/h2-3,5,7,9-10,22H,4,6,8,11H2,1H3,(H2,18,19,20,24)/t17-/m0/s1
InChIKeyQDWRTUAFLLXBRI-KRWDZBQOSA-N
XLogP1.13
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[(1R)-1-(hydroxymethyl)-3,4-dihydro-2H-naphthalen-1-yl]-3-(4-methyl-3-oxopyrazin-2-yl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(hydroxymethyl)-3,4-dihydro-2H-naphthalen-1-yl]-3-(4-methyl-3-oxopyrazin-2-yl)urea?
The IUPAC name of 1-[(1R)-1-(hydroxymethyl)-3,4-dihydro-2H-naphthalen-1-yl]-3-(4-methyl-3-oxopyrazin-2-yl)urea (CID 125141118) is 1-[(1R)-1-(hydroxymethyl)-3,4-dihydro-2H-naphthalen-1-yl]-3-(4-methyl-3-oxopyrazin-2-yl)urea.
What is the SMILES notation for 1-[(1R)-1-(hydroxymethyl)-3,4-dihydro-2H-naphthalen-1-yl]-3-(4-methyl-3-oxopyrazin-2-yl)urea?
The canonical SMILES for 1-[(1R)-1-(hydroxymethyl)-3,4-dihydro-2H-naphthalen-1-yl]-3-(4-methyl-3-oxopyrazin-2-yl)urea is Cn1ccnc(NC(=O)N[C@]2(CO)CCCc3ccccc32)c1=O.
What is the InChIKey of 1-[(1R)-1-(hydroxymethyl)-3,4-dihydro-2H-naphthalen-1-yl]-3-(4-methyl-3-oxopyrazin-2-yl)urea?
The InChIKey is QDWRTUAFLLXBRI-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-21-10-9-18-14(15(21)23)19-16(24)20-17(11-22)8-4-6-12-5-2-3-7-13(12)17/h2-3,5,7,9-10,22H,4,6,8,11H2,1H3,(H2,18,19,20,24)/t17-/m0/s1.
What are the key properties of 1-[(1R)-1-(hydroxymethyl)-3,4-dihydro-2H-naphthalen-1-yl]-3-(4-methyl-3-oxopyrazin-2-yl)urea?
1-[(1R)-1-(hydroxymethyl)-3,4-dihydro-2H-naphthalen-1-yl]-3-(4-methyl-3-oxopyrazin-2-yl)urea has a molecular weight of 328.37 g/mol, XLogP of 1.13, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(hydroxymethyl)-3,4-dihydro-2H-naphthalen-1-yl]-3-(4-methyl-3-oxopyrazin-2-yl)urea is sourced from PubChem (CID 125141118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).