1-(2-methoxy-3-pyridinyl)-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea

C12H16N6O2 — CID 47252864

IUPAC1-(2-methoxy-3-pyridinyl)-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
SMILESCOc1ncccc1NC(=O)NC(C)c1nncn1C
InChIInChI=1S/C12H16N6O2/c1-8(10-17-14-7-18(10)2)15-12(19)16-9-5-4-6-13-11(9)20-3/h4-8H,1-3H3,(H2,15,16,19)
InChIKeyGIMALXZZRYTKIJ-UHFFFAOYSA-N
MW276.30 g/mol
LogP1.10
Rot. Bonds4

About 1-(2-methoxy-3-pyridinyl)-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea

1-(2-methoxy-3-pyridinyl)-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea (PubChem CID 47252864) has the molecular formula C12H16N6O2 and a molecular weight of 276.30 g/mol. Its IUPAC name is 1-(2-methoxy-3-pyridinyl)-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea.

Molecular Properties

Compound Name1-(2-methoxy-3-pyridinyl)-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
PubChem CID47252864
Molecular FormulaC12H16N6O2
Molecular Weight276.30 g/mol
Exact Mass276.13
IUPAC Name1-(2-methoxy-3-pyridinyl)-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
SMILESCOc1ncccc1NC(=O)NC(C)c1nncn1C
InChIInChI=1S/C12H16N6O2/c1-8(10-17-14-7-18(10)2)15-12(19)16-9-5-4-6-13-11(9)20-3/h4-8H,1-3H3,(H2,15,16,19)
InChIKeyGIMALXZZRYTKIJ-UHFFFAOYSA-N
XLogP1.10
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-3-pyridinyl)-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea?
The IUPAC name of 1-(2-methoxy-3-pyridinyl)-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea (CID 47252864) is 1-(2-methoxy-3-pyridinyl)-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea.
What is the SMILES notation for 1-(2-methoxy-3-pyridinyl)-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea?
The canonical SMILES for 1-(2-methoxy-3-pyridinyl)-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea is COc1ncccc1NC(=O)NC(C)c1nncn1C.
What is the InChIKey of 1-(2-methoxy-3-pyridinyl)-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea?
The InChIKey is GIMALXZZRYTKIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O2/c1-8(10-17-14-7-18(10)2)15-12(19)16-9-5-4-6-13-11(9)20-3/h4-8H,1-3H3,(H2,15,16,19).
What are the key properties of 1-(2-methoxy-3-pyridinyl)-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea?
1-(2-methoxy-3-pyridinyl)-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea has a molecular weight of 276.30 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-3-pyridinyl)-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea is sourced from PubChem (CID 47252864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).