4-methoxy-6-morpholin-4-yl-1,3,5-triazine-2-carboxamide

C9H13N5O3 — CID 4303317

IUPAC4-methoxy-6-morpholin-4-yl-1,3,5-triazine-2-carboxamide
SMILESCOc1nc(C(N)=O)nc(N2CCOCC2)n1
InChIInChI=1S/C9H13N5O3/c1-16-9-12-7(6(10)15)11-8(13-9)14-2-4-17-5-3-14/h2-5H2,1H3,(H2,10,15)
InChIKeyNLJUKRARVHHEKS-UHFFFAOYSA-N
MW239.23 g/mol
LogP-1.18
Rot. Bonds3

About 4-methoxy-6-morpholin-4-yl-1,3,5-triazine-2-carboxamide

4-methoxy-6-morpholin-4-yl-1,3,5-triazine-2-carboxamide (PubChem CID 4303317) has the molecular formula C9H13N5O3 and a molecular weight of 239.23 g/mol. Its IUPAC name is 4-methoxy-6-morpholin-4-yl-1,3,5-triazine-2-carboxamide.

Molecular Properties

Compound Name4-methoxy-6-morpholin-4-yl-1,3,5-triazine-2-carboxamide
PubChem CID4303317
Molecular FormulaC9H13N5O3
Molecular Weight239.23 g/mol
Exact Mass239.10
IUPAC Name4-methoxy-6-morpholin-4-yl-1,3,5-triazine-2-carboxamide
SMILESCOc1nc(C(N)=O)nc(N2CCOCC2)n1
InChIInChI=1S/C9H13N5O3/c1-16-9-12-7(6(10)15)11-8(13-9)14-2-4-17-5-3-14/h2-5H2,1H3,(H2,10,15)
InChIKeyNLJUKRARVHHEKS-UHFFFAOYSA-N
XLogP-1.18
TPSA103.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 5-1.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-morpholin-4-yl-1,3,5-triazine-2-carboxamide?
The IUPAC name of 4-methoxy-6-morpholin-4-yl-1,3,5-triazine-2-carboxamide (CID 4303317) is 4-methoxy-6-morpholin-4-yl-1,3,5-triazine-2-carboxamide.
What is the SMILES notation for 4-methoxy-6-morpholin-4-yl-1,3,5-triazine-2-carboxamide?
The canonical SMILES for 4-methoxy-6-morpholin-4-yl-1,3,5-triazine-2-carboxamide is COc1nc(C(N)=O)nc(N2CCOCC2)n1.
What is the InChIKey of 4-methoxy-6-morpholin-4-yl-1,3,5-triazine-2-carboxamide?
The InChIKey is NLJUKRARVHHEKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O3/c1-16-9-12-7(6(10)15)11-8(13-9)14-2-4-17-5-3-14/h2-5H2,1H3,(H2,10,15).
What are the key properties of 4-methoxy-6-morpholin-4-yl-1,3,5-triazine-2-carboxamide?
4-methoxy-6-morpholin-4-yl-1,3,5-triazine-2-carboxamide has a molecular weight of 239.23 g/mol, XLogP of -1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-morpholin-4-yl-1,3,5-triazine-2-carboxamide is sourced from PubChem (CID 4303317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).