1-[2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]triazole-4-carboxylic acid

C11H14N6O3 — CID 136959154

IUPAC1-[2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]triazole-4-carboxylic acid
SMILESCCc1nc(NCCn2cc(C(=O)O)nn2)cc(=O)[nH]1
InChIInChI=1S/C11H14N6O3/c1-2-8-13-9(5-10(18)14-8)12-3-4-17-6-7(11(19)20)15-16-17/h5-6H,2-4H2,1H3,(H,19,20)(H2,12,13,14,18)
InChIKeyOPXZQKBDXRNBIJ-UHFFFAOYSA-N
MW278.27 g/mol
LogP-0.27
Rot. Bonds6

About 1-[2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]triazole-4-carboxylic acid

1-[2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]triazole-4-carboxylic acid (PubChem CID 136959154) has the molecular formula C11H14N6O3 and a molecular weight of 278.27 g/mol. Its IUPAC name is 1-[2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]triazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]triazole-4-carboxylic acid
PubChem CID136959154
Molecular FormulaC11H14N6O3
Molecular Weight278.27 g/mol
Exact Mass278.11
IUPAC Name1-[2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]triazole-4-carboxylic acid
SMILESCCc1nc(NCCn2cc(C(=O)O)nn2)cc(=O)[nH]1
InChIInChI=1S/C11H14N6O3/c1-2-8-13-9(5-10(18)14-8)12-3-4-17-6-7(11(19)20)15-16-17/h5-6H,2-4H2,1H3,(H,19,20)(H2,12,13,14,18)
InChIKeyOPXZQKBDXRNBIJ-UHFFFAOYSA-N
XLogP-0.27
TPSA125.79 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 1-[2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]triazole-4-carboxylic acid with MolForge

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Related Compounds

1-[2-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]ethyl]triazole-4-carboxylic acid
CID 66332703
4-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]butanamide
CID 136974133
2-ethyl-4-(2-ethylsulfonylethylamino)-1H-pyrimidin-6-one
CID 136750490
2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]ethyl carbamate
CID 136976721
6-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid
CID 136958362
1-[2-[(3-ethyl-1-methylpyrazol-4-yl)amino]ethyl]triazole-4-carboxylic acid
CID 107463799
4-[2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]benzoic acid
CID 136958484
2-ethyl-4-(3-pyrrolidin-1-ylpropylamino)-1H-pyrimidin-6-one
CID 136975586
2-ethyl-4-(4-hydroxybutylamino)-1H-pyrimidin-6-one
CID 136772464
1-[2-(3-ethylanilino)ethyl]triazole-4-carboxylic acid
CID 103236120
6-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-4,4-dimethylhexanoic acid
CID 136959105
2-ethyl-4-(4-hydroxypentylamino)-1H-pyrimidin-6-one
CID 136902417

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]triazole-4-carboxylic acid?
The IUPAC name of 1-[2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]triazole-4-carboxylic acid (CID 136959154) is 1-[2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]triazole-4-carboxylic acid.
What is the SMILES notation for 1-[2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]triazole-4-carboxylic acid?
The canonical SMILES for 1-[2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]triazole-4-carboxylic acid is CCc1nc(NCCn2cc(C(=O)O)nn2)cc(=O)[nH]1.
What is the InChIKey of 1-[2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]triazole-4-carboxylic acid?
The InChIKey is OPXZQKBDXRNBIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O3/c1-2-8-13-9(5-10(18)14-8)12-3-4-17-6-7(11(19)20)15-16-17/h5-6H,2-4H2,1H3,(H,19,20)(H2,12,13,14,18).
What are the key properties of 1-[2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]triazole-4-carboxylic acid?
1-[2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]triazole-4-carboxylic acid has a molecular weight of 278.27 g/mol, XLogP of -0.27, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]triazole-4-carboxylic acid is sourced from PubChem (CID 136959154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).