[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-(2-methylpyrimidin-4-yl)methanone

C14H18N6O2 — CID 71872921

IUPAC[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-(2-methylpyrimidin-4-yl)methanone
SMILESCCc1nc(C2CN(C(=O)c3ccnc(C)n3)CCO2)n[nH]1
InChIInChI=1S/C14H18N6O2/c1-3-12-17-13(19-18-12)11-8-20(6-7-22-11)14(21)10-4-5-15-9(2)16-10/h4-5,11H,3,6-8H2,1-2H3,(H,17,18,19)
InChIKeyVPWXNRQGGRUGAL-UHFFFAOYSA-N
MW302.34 g/mol
LogP0.68
Rot. Bonds3

About [2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-(2-methylpyrimidin-4-yl)methanone

[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-(2-methylpyrimidin-4-yl)methanone (PubChem CID 71872921) has the molecular formula C14H18N6O2 and a molecular weight of 302.34 g/mol. Its IUPAC name is [2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-(2-methylpyrimidin-4-yl)methanone.

Molecular Properties

Compound Name[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-(2-methylpyrimidin-4-yl)methanone
PubChem CID71872921
Molecular FormulaC14H18N6O2
Molecular Weight302.34 g/mol
Exact Mass302.15
IUPAC Name[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-(2-methylpyrimidin-4-yl)methanone
SMILESCCc1nc(C2CN(C(=O)c3ccnc(C)n3)CCO2)n[nH]1
InChIInChI=1S/C14H18N6O2/c1-3-12-17-13(19-18-12)11-8-20(6-7-22-11)14(21)10-4-5-15-9(2)16-10/h4-5,11H,3,6-8H2,1-2H3,(H,17,18,19)
InChIKeyVPWXNRQGGRUGAL-UHFFFAOYSA-N
XLogP0.68
TPSA96.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-(2-methylpyrimidin-4-yl)methanone?
The IUPAC name of [2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-(2-methylpyrimidin-4-yl)methanone (CID 71872921) is [2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-(2-methylpyrimidin-4-yl)methanone.
What is the SMILES notation for [2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-(2-methylpyrimidin-4-yl)methanone?
The canonical SMILES for [2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-(2-methylpyrimidin-4-yl)methanone is CCc1nc(C2CN(C(=O)c3ccnc(C)n3)CCO2)n[nH]1.
What is the InChIKey of [2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-(2-methylpyrimidin-4-yl)methanone?
The InChIKey is VPWXNRQGGRUGAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O2/c1-3-12-17-13(19-18-12)11-8-20(6-7-22-11)14(21)10-4-5-15-9(2)16-10/h4-5,11H,3,6-8H2,1-2H3,(H,17,18,19).
What are the key properties of [2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-(2-methylpyrimidin-4-yl)methanone?
[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-(2-methylpyrimidin-4-yl)methanone has a molecular weight of 302.34 g/mol, XLogP of 0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-(2-methylpyrimidin-4-yl)methanone is sourced from PubChem (CID 71872921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).