4-ethoxy-1,3,5-triazine-2-carboxamide

C6H8N4O2 — CID 54244492

IUPAC4-ethoxy-1,3,5-triazine-2-carboxamide
SMILESCCOc1ncnc(C(N)=O)n1
InChIInChI=1S/C6H8N4O2/c1-2-12-6-9-3-8-5(10-6)4(7)11/h3H,2H2,1H3,(H2,7,11)
InChIKeyQSHFTASJPZXTIV-UHFFFAOYSA-N
MW168.16 g/mol
LogP-0.63
Rot. Bonds3

About 4-ethoxy-1,3,5-triazine-2-carboxamide

4-ethoxy-1,3,5-triazine-2-carboxamide (PubChem CID 54244492) has the molecular formula C6H8N4O2 and a molecular weight of 168.16 g/mol. Its IUPAC name is 4-ethoxy-1,3,5-triazine-2-carboxamide.

Molecular Properties

Compound Name4-ethoxy-1,3,5-triazine-2-carboxamide
PubChem CID54244492
Molecular FormulaC6H8N4O2
Molecular Weight168.16 g/mol
Exact Mass168.06
IUPAC Name4-ethoxy-1,3,5-triazine-2-carboxamide
SMILESCCOc1ncnc(C(N)=O)n1
InChIInChI=1S/C6H8N4O2/c1-2-12-6-9-3-8-5(10-6)4(7)11/h3H,2H2,1H3,(H2,7,11)
InChIKeyQSHFTASJPZXTIV-UHFFFAOYSA-N
XLogP-0.63
TPSA90.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.16
LogP ≤ 5-0.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-Carbamoyl-sym-triazine
CID 54264822
4-(Diethylamino)-6-methoxy-1,3,5-triazine-2-carboxamide
CID 4355148
N-methyl-1,3,5-triazine-2-carboxamide
CID 67979738
4-(Dimethylamino)-1,3,5-triazine-2-carboxamide
CID 68499221
4-Methyl-1,3,5-triazine-2-carboxamide
CID 89902814
2-N,4-N-dimethyl-1,3,5-triazine-2,4-dicarboxamide
CID 118936003
4-Ethyl-1,3,5-triazine-2-carboxamide
CID 140726341
4-[(2R)-1-methoxypropan-2-yl]oxy-1,3,5-triazine-2-carboxamide
CID 140726398
1,3,5-Triazine-2-carboxamide;hydrochloride
CID 174617554

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-1,3,5-triazine-2-carboxamide?
The IUPAC name of 4-ethoxy-1,3,5-triazine-2-carboxamide (CID 54244492) is 4-ethoxy-1,3,5-triazine-2-carboxamide.
What is the SMILES notation for 4-ethoxy-1,3,5-triazine-2-carboxamide?
The canonical SMILES for 4-ethoxy-1,3,5-triazine-2-carboxamide is CCOc1ncnc(C(N)=O)n1.
What is the InChIKey of 4-ethoxy-1,3,5-triazine-2-carboxamide?
The InChIKey is QSHFTASJPZXTIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4O2/c1-2-12-6-9-3-8-5(10-6)4(7)11/h3H,2H2,1H3,(H2,7,11).
What are the key properties of 4-ethoxy-1,3,5-triazine-2-carboxamide?
4-ethoxy-1,3,5-triazine-2-carboxamide has a molecular weight of 168.16 g/mol, XLogP of -0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-1,3,5-triazine-2-carboxamide is sourced from PubChem (CID 54244492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).