1-[(3-amino-6-chloropyrazin-2-yl)methyl]-3-(2,3-dichlorophenyl)urea

C12H10Cl3N5O — CID 122194202

IUPAC1-[(3-amino-6-chloropyrazin-2-yl)methyl]-3-(2,3-dichlorophenyl)urea
SMILESNc1ncc(Cl)nc1CNC(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C12H10Cl3N5O/c13-6-2-1-3-7(10(6)15)20-12(21)18-4-8-11(16)17-5-9(14)19-8/h1-3,5H,4H2,(H2,16,17)(H2,18,20,21)
InChIKeyQXMBFSRFIHYKCW-UHFFFAOYSA-N
MW346.61 g/mol
LogP3.34
Rot. Bonds3

About 1-[(3-amino-6-chloropyrazin-2-yl)methyl]-3-(2,3-dichlorophenyl)urea

1-[(3-amino-6-chloropyrazin-2-yl)methyl]-3-(2,3-dichlorophenyl)urea (PubChem CID 122194202) has the molecular formula C12H10Cl3N5O and a molecular weight of 346.61 g/mol. Its IUPAC name is 1-[(3-amino-6-chloropyrazin-2-yl)methyl]-3-(2,3-dichlorophenyl)urea.

Molecular Properties

Compound Name1-[(3-amino-6-chloropyrazin-2-yl)methyl]-3-(2,3-dichlorophenyl)urea
PubChem CID122194202
Molecular FormulaC12H10Cl3N5O
Molecular Weight346.61 g/mol
Exact Mass345.00
IUPAC Name1-[(3-amino-6-chloropyrazin-2-yl)methyl]-3-(2,3-dichlorophenyl)urea
SMILESNc1ncc(Cl)nc1CNC(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C12H10Cl3N5O/c13-6-2-1-3-7(10(6)15)20-12(21)18-4-8-11(16)17-5-9(14)19-8/h1-3,5H,4H2,(H2,16,17)(H2,18,20,21)
InChIKeyQXMBFSRFIHYKCW-UHFFFAOYSA-N
XLogP3.34
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.61
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-amino-6-chloropyrazin-2-yl)methyl]-3-(2,3-dichlorophenyl)urea?
The IUPAC name of 1-[(3-amino-6-chloropyrazin-2-yl)methyl]-3-(2,3-dichlorophenyl)urea (CID 122194202) is 1-[(3-amino-6-chloropyrazin-2-yl)methyl]-3-(2,3-dichlorophenyl)urea.
What is the SMILES notation for 1-[(3-amino-6-chloropyrazin-2-yl)methyl]-3-(2,3-dichlorophenyl)urea?
The canonical SMILES for 1-[(3-amino-6-chloropyrazin-2-yl)methyl]-3-(2,3-dichlorophenyl)urea is Nc1ncc(Cl)nc1CNC(=O)Nc1cccc(Cl)c1Cl.
What is the InChIKey of 1-[(3-amino-6-chloropyrazin-2-yl)methyl]-3-(2,3-dichlorophenyl)urea?
The InChIKey is QXMBFSRFIHYKCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl3N5O/c13-6-2-1-3-7(10(6)15)20-12(21)18-4-8-11(16)17-5-9(14)19-8/h1-3,5H,4H2,(H2,16,17)(H2,18,20,21).
What are the key properties of 1-[(3-amino-6-chloropyrazin-2-yl)methyl]-3-(2,3-dichlorophenyl)urea?
1-[(3-amino-6-chloropyrazin-2-yl)methyl]-3-(2,3-dichlorophenyl)urea has a molecular weight of 346.61 g/mol, XLogP of 3.34, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-amino-6-chloropyrazin-2-yl)methyl]-3-(2,3-dichlorophenyl)urea is sourced from PubChem (CID 122194202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).