1-(4-amino-6-ethoxy-1,3,5-triazin-2-yl)-N,N-dimethylpyrazole-3-carboxamide

C11H15N7O2 — CID 80867914

IUPAC1-(4-amino-6-ethoxy-1,3,5-triazin-2-yl)-N,N-dimethylpyrazole-3-carboxamide
SMILESCCOc1nc(N)nc(-n2ccc(C(=O)N(C)C)n2)n1
InChIInChI=1S/C11H15N7O2/c1-4-20-11-14-9(12)13-10(15-11)18-6-5-7(16-18)8(19)17(2)3/h5-6H,4H2,1-3H3,(H2,12,13,14,15)
InChIKeyUXAMNVYGSHMTLR-UHFFFAOYSA-N
MW277.29 g/mol
LogP-0.26
Rot. Bonds4

About 1-(4-amino-6-ethoxy-1,3,5-triazin-2-yl)-N,N-dimethylpyrazole-3-carboxamide

1-(4-amino-6-ethoxy-1,3,5-triazin-2-yl)-N,N-dimethylpyrazole-3-carboxamide (PubChem CID 80867914) has the molecular formula C11H15N7O2 and a molecular weight of 277.29 g/mol. Its IUPAC name is 1-(4-amino-6-ethoxy-1,3,5-triazin-2-yl)-N,N-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-amino-6-ethoxy-1,3,5-triazin-2-yl)-N,N-dimethylpyrazole-3-carboxamide
PubChem CID80867914
Molecular FormulaC11H15N7O2
Molecular Weight277.29 g/mol
Exact Mass277.13
IUPAC Name1-(4-amino-6-ethoxy-1,3,5-triazin-2-yl)-N,N-dimethylpyrazole-3-carboxamide
SMILESCCOc1nc(N)nc(-n2ccc(C(=O)N(C)C)n2)n1
InChIInChI=1S/C11H15N7O2/c1-4-20-11-14-9(12)13-10(15-11)18-6-5-7(16-18)8(19)17(2)3/h5-6H,4H2,1-3H3,(H2,12,13,14,15)
InChIKeyUXAMNVYGSHMTLR-UHFFFAOYSA-N
XLogP-0.26
TPSA112.05 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-6-ethoxy-1,3,5-triazin-2-yl)-N,N-dimethylpyrazole-3-carboxamide?
The IUPAC name of 1-(4-amino-6-ethoxy-1,3,5-triazin-2-yl)-N,N-dimethylpyrazole-3-carboxamide (CID 80867914) is 1-(4-amino-6-ethoxy-1,3,5-triazin-2-yl)-N,N-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for 1-(4-amino-6-ethoxy-1,3,5-triazin-2-yl)-N,N-dimethylpyrazole-3-carboxamide?
The canonical SMILES for 1-(4-amino-6-ethoxy-1,3,5-triazin-2-yl)-N,N-dimethylpyrazole-3-carboxamide is CCOc1nc(N)nc(-n2ccc(C(=O)N(C)C)n2)n1.
What is the InChIKey of 1-(4-amino-6-ethoxy-1,3,5-triazin-2-yl)-N,N-dimethylpyrazole-3-carboxamide?
The InChIKey is UXAMNVYGSHMTLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N7O2/c1-4-20-11-14-9(12)13-10(15-11)18-6-5-7(16-18)8(19)17(2)3/h5-6H,4H2,1-3H3,(H2,12,13,14,15).
What are the key properties of 1-(4-amino-6-ethoxy-1,3,5-triazin-2-yl)-N,N-dimethylpyrazole-3-carboxamide?
1-(4-amino-6-ethoxy-1,3,5-triazin-2-yl)-N,N-dimethylpyrazole-3-carboxamide has a molecular weight of 277.29 g/mol, XLogP of -0.26, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-6-ethoxy-1,3,5-triazin-2-yl)-N,N-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 80867914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).