1-ethyl-1-(oxolan-3-ylmethyl)-3-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]urea

C15H20N6O2 — CID 53498378

IUPAC1-ethyl-1-(oxolan-3-ylmethyl)-3-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]urea
SMILESCCN(CC1CCOC1)C(=O)Nc1ccc(-n2cncn2)nc1
InChIInChI=1S/C15H20N6O2/c1-2-20(8-12-5-6-23-9-12)15(22)19-13-3-4-14(17-7-13)21-11-16-10-18-21/h3-4,7,10-12H,2,5-6,8-9H2,1H3,(H,19,22)
InChIKeyJXZXTGZHGIUMHI-UHFFFAOYSA-N
MW316.37 g/mol
LogP1.55
Rot. Bonds5

About 1-ethyl-1-(oxolan-3-ylmethyl)-3-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]urea

1-ethyl-1-(oxolan-3-ylmethyl)-3-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]urea (PubChem CID 53498378) has the molecular formula C15H20N6O2 and a molecular weight of 316.37 g/mol. Its IUPAC name is 1-ethyl-1-(oxolan-3-ylmethyl)-3-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]urea.

Molecular Properties

Compound Name1-ethyl-1-(oxolan-3-ylmethyl)-3-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]urea
PubChem CID53498378
Molecular FormulaC15H20N6O2
Molecular Weight316.37 g/mol
Exact Mass316.16
IUPAC Name1-ethyl-1-(oxolan-3-ylmethyl)-3-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]urea
SMILESCCN(CC1CCOC1)C(=O)Nc1ccc(-n2cncn2)nc1
InChIInChI=1S/C15H20N6O2/c1-2-20(8-12-5-6-23-9-12)15(22)19-13-3-4-14(17-7-13)21-11-16-10-18-21/h3-4,7,10-12H,2,5-6,8-9H2,1H3,(H,19,22)
InChIKeyJXZXTGZHGIUMHI-UHFFFAOYSA-N
XLogP1.55
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-(oxolan-3-ylmethyl)-3-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]urea?
The IUPAC name of 1-ethyl-1-(oxolan-3-ylmethyl)-3-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]urea (CID 53498378) is 1-ethyl-1-(oxolan-3-ylmethyl)-3-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]urea.
What is the SMILES notation for 1-ethyl-1-(oxolan-3-ylmethyl)-3-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]urea?
The canonical SMILES for 1-ethyl-1-(oxolan-3-ylmethyl)-3-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]urea is CCN(CC1CCOC1)C(=O)Nc1ccc(-n2cncn2)nc1.
What is the InChIKey of 1-ethyl-1-(oxolan-3-ylmethyl)-3-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]urea?
The InChIKey is JXZXTGZHGIUMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O2/c1-2-20(8-12-5-6-23-9-12)15(22)19-13-3-4-14(17-7-13)21-11-16-10-18-21/h3-4,7,10-12H,2,5-6,8-9H2,1H3,(H,19,22).
What are the key properties of 1-ethyl-1-(oxolan-3-ylmethyl)-3-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]urea?
1-ethyl-1-(oxolan-3-ylmethyl)-3-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]urea has a molecular weight of 316.37 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-(oxolan-3-ylmethyl)-3-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]urea is sourced from PubChem (CID 53498378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).