4-methyl-N-[1-(1-pyridin-4-yltriazol-4-yl)ethyl]morpholine-2-carboxamide

C15H20N6O2 — CID 166329759

IUPAC4-methyl-N-[1-(1-pyridin-4-yltriazol-4-yl)ethyl]morpholine-2-carboxamide
SMILESCC(NC(=O)C1CN(C)CCO1)c1cn(-c2ccncc2)nn1
InChIInChI=1S/C15H20N6O2/c1-11(17-15(22)14-10-20(2)7-8-23-14)13-9-21(19-18-13)12-3-5-16-6-4-12/h3-6,9,11,14H,7-8,10H2,1-2H3,(H,17,22)
InChIKeyAHRXDHNRLLPISV-UHFFFAOYSA-N
MW316.37 g/mol
LogP0.17
Rot. Bonds4

About 4-methyl-N-[1-(1-pyridin-4-yltriazol-4-yl)ethyl]morpholine-2-carboxamide

4-methyl-N-[1-(1-pyridin-4-yltriazol-4-yl)ethyl]morpholine-2-carboxamide (PubChem CID 166329759) has the molecular formula C15H20N6O2 and a molecular weight of 316.37 g/mol. Its IUPAC name is 4-methyl-N-[1-(1-pyridin-4-yltriazol-4-yl)ethyl]morpholine-2-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[1-(1-pyridin-4-yltriazol-4-yl)ethyl]morpholine-2-carboxamide
PubChem CID166329759
Molecular FormulaC15H20N6O2
Molecular Weight316.37 g/mol
Exact Mass316.16
IUPAC Name4-methyl-N-[1-(1-pyridin-4-yltriazol-4-yl)ethyl]morpholine-2-carboxamide
SMILESCC(NC(=O)C1CN(C)CCO1)c1cn(-c2ccncc2)nn1
InChIInChI=1S/C15H20N6O2/c1-11(17-15(22)14-10-20(2)7-8-23-14)13-9-21(19-18-13)12-3-5-16-6-4-12/h3-6,9,11,14H,7-8,10H2,1-2H3,(H,17,22)
InChIKeyAHRXDHNRLLPISV-UHFFFAOYSA-N
XLogP0.17
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[1-(1-pyridin-4-yltriazol-4-yl)ethyl]morpholine-2-carboxamide?
The IUPAC name of 4-methyl-N-[1-(1-pyridin-4-yltriazol-4-yl)ethyl]morpholine-2-carboxamide (CID 166329759) is 4-methyl-N-[1-(1-pyridin-4-yltriazol-4-yl)ethyl]morpholine-2-carboxamide.
What is the SMILES notation for 4-methyl-N-[1-(1-pyridin-4-yltriazol-4-yl)ethyl]morpholine-2-carboxamide?
The canonical SMILES for 4-methyl-N-[1-(1-pyridin-4-yltriazol-4-yl)ethyl]morpholine-2-carboxamide is CC(NC(=O)C1CN(C)CCO1)c1cn(-c2ccncc2)nn1.
What is the InChIKey of 4-methyl-N-[1-(1-pyridin-4-yltriazol-4-yl)ethyl]morpholine-2-carboxamide?
The InChIKey is AHRXDHNRLLPISV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O2/c1-11(17-15(22)14-10-20(2)7-8-23-14)13-9-21(19-18-13)12-3-5-16-6-4-12/h3-6,9,11,14H,7-8,10H2,1-2H3,(H,17,22).
What are the key properties of 4-methyl-N-[1-(1-pyridin-4-yltriazol-4-yl)ethyl]morpholine-2-carboxamide?
4-methyl-N-[1-(1-pyridin-4-yltriazol-4-yl)ethyl]morpholine-2-carboxamide has a molecular weight of 316.37 g/mol, XLogP of 0.17, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[1-(1-pyridin-4-yltriazol-4-yl)ethyl]morpholine-2-carboxamide is sourced from PubChem (CID 166329759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).