1-cyclopropyl-3-(4-methyl-3-oxopyrazin-2-yl)-1-propylurea

C12H18N4O2 — CID 75505363

IUPAC1-cyclopropyl-3-(4-methyl-3-oxopyrazin-2-yl)-1-propylurea
SMILESCCCN(C(=O)Nc1nccn(C)c1=O)C1CC1
InChIInChI=1S/C12H18N4O2/c1-3-7-16(9-4-5-9)12(18)14-10-11(17)15(2)8-6-13-10/h6,8-9H,3-5,7H2,1-2H3,(H,13,14,18)
InChIKeySNXMSHXDLLFKKT-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.19
Rot. Bonds4

About 1-cyclopropyl-3-(4-methyl-3-oxopyrazin-2-yl)-1-propylurea

1-cyclopropyl-3-(4-methyl-3-oxopyrazin-2-yl)-1-propylurea (PubChem CID 75505363) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 1-cyclopropyl-3-(4-methyl-3-oxopyrazin-2-yl)-1-propylurea.

Molecular Properties

Compound Name1-cyclopropyl-3-(4-methyl-3-oxopyrazin-2-yl)-1-propylurea
PubChem CID75505363
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name1-cyclopropyl-3-(4-methyl-3-oxopyrazin-2-yl)-1-propylurea
SMILESCCCN(C(=O)Nc1nccn(C)c1=O)C1CC1
InChIInChI=1S/C12H18N4O2/c1-3-7-16(9-4-5-9)12(18)14-10-11(17)15(2)8-6-13-10/h6,8-9H,3-5,7H2,1-2H3,(H,13,14,18)
InChIKeySNXMSHXDLLFKKT-UHFFFAOYSA-N
XLogP1.19
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(4-methyl-3-oxopyrazin-2-yl)-1-propylurea?
The IUPAC name of 1-cyclopropyl-3-(4-methyl-3-oxopyrazin-2-yl)-1-propylurea (CID 75505363) is 1-cyclopropyl-3-(4-methyl-3-oxopyrazin-2-yl)-1-propylurea.
What is the SMILES notation for 1-cyclopropyl-3-(4-methyl-3-oxopyrazin-2-yl)-1-propylurea?
The canonical SMILES for 1-cyclopropyl-3-(4-methyl-3-oxopyrazin-2-yl)-1-propylurea is CCCN(C(=O)Nc1nccn(C)c1=O)C1CC1.
What is the InChIKey of 1-cyclopropyl-3-(4-methyl-3-oxopyrazin-2-yl)-1-propylurea?
The InChIKey is SNXMSHXDLLFKKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-3-7-16(9-4-5-9)12(18)14-10-11(17)15(2)8-6-13-10/h6,8-9H,3-5,7H2,1-2H3,(H,13,14,18).
What are the key properties of 1-cyclopropyl-3-(4-methyl-3-oxopyrazin-2-yl)-1-propylurea?
1-cyclopropyl-3-(4-methyl-3-oxopyrazin-2-yl)-1-propylurea has a molecular weight of 250.30 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(4-methyl-3-oxopyrazin-2-yl)-1-propylurea is sourced from PubChem (CID 75505363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).