1-[2-(1,2,4-triazin-3-ylcarbamoylamino)ethyl]imidazole-4-carboxylic acid

C10H11N7O3 — CID 107498367

IUPAC1-[2-(1,2,4-triazin-3-ylcarbamoylamino)ethyl]imidazole-4-carboxylic acid
SMILESO=C(NCCn1cnc(C(=O)O)c1)Nc1nccnn1
InChIInChI=1S/C10H11N7O3/c18-8(19)7-5-17(6-13-7)4-3-12-10(20)15-9-11-1-2-14-16-9/h1-2,5-6H,3-4H2,(H,18,19)(H2,11,12,15,16,20)
InChIKeyGFAJNYBJMUIIOQ-UHFFFAOYSA-N
MW277.24 g/mol
LogP-0.41
Rot. Bonds5

About 1-[2-(1,2,4-triazin-3-ylcarbamoylamino)ethyl]imidazole-4-carboxylic acid

1-[2-(1,2,4-triazin-3-ylcarbamoylamino)ethyl]imidazole-4-carboxylic acid (PubChem CID 107498367) has the molecular formula C10H11N7O3 and a molecular weight of 277.24 g/mol. Its IUPAC name is 1-[2-(1,2,4-triazin-3-ylcarbamoylamino)ethyl]imidazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(1,2,4-triazin-3-ylcarbamoylamino)ethyl]imidazole-4-carboxylic acid
PubChem CID107498367
Molecular FormulaC10H11N7O3
Molecular Weight277.24 g/mol
Exact Mass277.09
IUPAC Name1-[2-(1,2,4-triazin-3-ylcarbamoylamino)ethyl]imidazole-4-carboxylic acid
SMILESO=C(NCCn1cnc(C(=O)O)c1)Nc1nccnn1
InChIInChI=1S/C10H11N7O3/c18-8(19)7-5-17(6-13-7)4-3-12-10(20)15-9-11-1-2-14-16-9/h1-2,5-6H,3-4H2,(H,18,19)(H2,11,12,15,16,20)
InChIKeyGFAJNYBJMUIIOQ-UHFFFAOYSA-N
XLogP-0.41
TPSA134.92 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.24
LogP ≤ 5-0.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

1-[2-(pyrimidin-2-ylcarbamoylamino)ethyl]imidazole-4-carboxylic acid
CID 107496762
1-[2-(propylcarbamoylamino)ethyl]imidazole-4-carboxylic acid
CID 107496584
1-[2-(thiophen-3-ylcarbamoylamino)ethyl]imidazole-4-carboxylic acid
CID 107497772
1-(2-acetamidoethyl)imidazole-4-carboxylic acid
CID 107496341
1-[2-[(2-bromophenyl)carbamoylamino]ethyl]imidazole-4-carboxylic acid
CID 107496791
1-[2-(3,3,3-trifluoropropylcarbamoylamino)ethyl]imidazole-4-carboxylic acid
CID 107497614
1-[2-[(3-methyl-1,2,4-thiadiazol-5-yl)carbamoylamino]ethyl]imidazole-4-carboxylic acid
CID 107498296
1-[2-[(2,6-dihydroxybenzoyl)amino]ethyl]imidazole-4-carboxylic acid
CID 107688299
1-[2-(pent-3-ynylcarbamoylamino)ethyl]imidazole-4-carboxylic acid
CID 107498352
1-[2-(2-methylbutan-2-ylcarbamoylamino)ethyl]imidazole-4-carboxylic acid
CID 107496586
1-[2-[2-(1H-imidazol-2-yl)ethylcarbamoylamino]ethyl]imidazole-4-carboxylic acid
CID 107498272
1-[2-(pyridin-2-ylmethylcarbamoylamino)ethyl]imidazole-4-carboxylic acid
CID 107496820

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,2,4-triazin-3-ylcarbamoylamino)ethyl]imidazole-4-carboxylic acid?
The IUPAC name of 1-[2-(1,2,4-triazin-3-ylcarbamoylamino)ethyl]imidazole-4-carboxylic acid (CID 107498367) is 1-[2-(1,2,4-triazin-3-ylcarbamoylamino)ethyl]imidazole-4-carboxylic acid.
What is the SMILES notation for 1-[2-(1,2,4-triazin-3-ylcarbamoylamino)ethyl]imidazole-4-carboxylic acid?
The canonical SMILES for 1-[2-(1,2,4-triazin-3-ylcarbamoylamino)ethyl]imidazole-4-carboxylic acid is O=C(NCCn1cnc(C(=O)O)c1)Nc1nccnn1.
What is the InChIKey of 1-[2-(1,2,4-triazin-3-ylcarbamoylamino)ethyl]imidazole-4-carboxylic acid?
The InChIKey is GFAJNYBJMUIIOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N7O3/c18-8(19)7-5-17(6-13-7)4-3-12-10(20)15-9-11-1-2-14-16-9/h1-2,5-6H,3-4H2,(H,18,19)(H2,11,12,15,16,20).
What are the key properties of 1-[2-(1,2,4-triazin-3-ylcarbamoylamino)ethyl]imidazole-4-carboxylic acid?
1-[2-(1,2,4-triazin-3-ylcarbamoylamino)ethyl]imidazole-4-carboxylic acid has a molecular weight of 277.24 g/mol, XLogP of -0.41, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,2,4-triazin-3-ylcarbamoylamino)ethyl]imidazole-4-carboxylic acid is sourced from PubChem (CID 107498367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).