4-(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)-2-propan-2-ylmorpholine

C14H20N6O — CID 136572945

IUPAC4-(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)-2-propan-2-ylmorpholine
SMILESCC(C)C1CN(c2nnc(-c3cnccn3)n2C)CCO1
InChIInChI=1S/C14H20N6O/c1-10(2)12-9-20(6-7-21-12)14-18-17-13(19(14)3)11-8-15-4-5-16-11/h4-5,8,10,12H,6-7,9H2,1-3H3
InChIKeyKNFHDCBPWOZDKU-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.13
Rot. Bonds3

About 4-(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)-2-propan-2-ylmorpholine

4-(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)-2-propan-2-ylmorpholine (PubChem CID 136572945) has the molecular formula C14H20N6O and a molecular weight of 288.35 g/mol. Its IUPAC name is 4-(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)-2-propan-2-ylmorpholine.

Molecular Properties

Compound Name4-(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)-2-propan-2-ylmorpholine
PubChem CID136572945
Molecular FormulaC14H20N6O
Molecular Weight288.35 g/mol
Exact Mass288.17
IUPAC Name4-(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)-2-propan-2-ylmorpholine
SMILESCC(C)C1CN(c2nnc(-c3cnccn3)n2C)CCO1
InChIInChI=1S/C14H20N6O/c1-10(2)12-9-20(6-7-21-12)14-18-17-13(19(14)3)11-8-15-4-5-16-11/h4-5,8,10,12H,6-7,9H2,1-3H3
InChIKeyKNFHDCBPWOZDKU-UHFFFAOYSA-N
XLogP1.13
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)-2-propan-2-ylmorpholine?
The IUPAC name of 4-(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)-2-propan-2-ylmorpholine (CID 136572945) is 4-(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)-2-propan-2-ylmorpholine.
What is the SMILES notation for 4-(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)-2-propan-2-ylmorpholine?
The canonical SMILES for 4-(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)-2-propan-2-ylmorpholine is CC(C)C1CN(c2nnc(-c3cnccn3)n2C)CCO1.
What is the InChIKey of 4-(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)-2-propan-2-ylmorpholine?
The InChIKey is KNFHDCBPWOZDKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O/c1-10(2)12-9-20(6-7-21-12)14-18-17-13(19(14)3)11-8-15-4-5-16-11/h4-5,8,10,12H,6-7,9H2,1-3H3.
What are the key properties of 4-(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)-2-propan-2-ylmorpholine?
4-(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)-2-propan-2-ylmorpholine has a molecular weight of 288.35 g/mol, XLogP of 1.13, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)-2-propan-2-ylmorpholine is sourced from PubChem (CID 136572945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).