1-[2-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoylamino]ethyl]imidazole-4-carboxylic acid

C11H15N7O3 — CID 107497713

IUPAC1-[2-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoylamino]ethyl]imidazole-4-carboxylic acid
SMILESO=C(NCCc1ncn[nH]1)NCCn1cnc(C(=O)O)c1
InChIInChI=1S/C11H15N7O3/c19-10(20)8-5-18(7-15-8)4-3-13-11(21)12-2-1-9-14-6-16-17-9/h5-7H,1-4H2,(H,19,20)(H2,12,13,21)(H,14,16,17)
InChIKeyIAIMOIBJJUEEAC-UHFFFAOYSA-N
MW293.29 g/mol
LogP-0.76
Rot. Bonds7

About 1-[2-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoylamino]ethyl]imidazole-4-carboxylic acid

1-[2-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoylamino]ethyl]imidazole-4-carboxylic acid (PubChem CID 107497713) has the molecular formula C11H15N7O3 and a molecular weight of 293.29 g/mol. Its IUPAC name is 1-[2-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoylamino]ethyl]imidazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoylamino]ethyl]imidazole-4-carboxylic acid
PubChem CID107497713
Molecular FormulaC11H15N7O3
Molecular Weight293.29 g/mol
Exact Mass293.12
IUPAC Name1-[2-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoylamino]ethyl]imidazole-4-carboxylic acid
SMILESO=C(NCCc1ncn[nH]1)NCCn1cnc(C(=O)O)c1
InChIInChI=1S/C11H15N7O3/c19-10(20)8-5-18(7-15-8)4-3-13-11(21)12-2-1-9-14-6-16-17-9/h5-7H,1-4H2,(H,19,20)(H2,12,13,21)(H,14,16,17)
InChIKeyIAIMOIBJJUEEAC-UHFFFAOYSA-N
XLogP-0.76
TPSA137.82 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 5-0.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 1-[2-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoylamino]ethyl]imidazole-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-[2-(1H-imidazol-2-yl)ethylcarbamoylamino]ethyl]imidazole-4-carboxylic acid
CID 107498272
1-[2-(propylcarbamoylamino)ethyl]imidazole-4-carboxylic acid
CID 107496584
1-[2-(3,3,3-trifluoropropylcarbamoylamino)ethyl]imidazole-4-carboxylic acid
CID 107497614
1-[2-(pent-3-ynylcarbamoylamino)ethyl]imidazole-4-carboxylic acid
CID 107498352
1-[2-(pyrimidin-2-ylcarbamoylamino)ethyl]imidazole-4-carboxylic acid
CID 107496762
1-[2-(1H-imidazol-5-ylmethylcarbamoylamino)ethyl]imidazole-4-carboxylic acid
CID 107497755
1-[2-(1H-pyrazole-4-carbonylamino)ethyl]imidazole-4-carboxylic acid
CID 107496974
1-[2-(2-methylbutan-2-ylcarbamoylamino)ethyl]imidazole-4-carboxylic acid
CID 107496586
1-[2-(pyridin-2-ylmethylcarbamoylamino)ethyl]imidazole-4-carboxylic acid
CID 107496820
1-[2-[(2-ethoxy-2-methylpropyl)carbamoylamino]ethyl]imidazole-4-carboxylic acid
CID 107498437
1-[2-(oxan-4-ylmethylcarbamoylamino)ethyl]imidazole-4-carboxylic acid
CID 107497651
1-[2-(4-fluorophenyl)ethyl]-3-[2-(1H-1,2,4-triazol-5-yl)ethyl]urea
CID 127267118

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoylamino]ethyl]imidazole-4-carboxylic acid?
The IUPAC name of 1-[2-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoylamino]ethyl]imidazole-4-carboxylic acid (CID 107497713) is 1-[2-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoylamino]ethyl]imidazole-4-carboxylic acid.
What is the SMILES notation for 1-[2-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoylamino]ethyl]imidazole-4-carboxylic acid?
The canonical SMILES for 1-[2-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoylamino]ethyl]imidazole-4-carboxylic acid is O=C(NCCc1ncn[nH]1)NCCn1cnc(C(=O)O)c1.
What is the InChIKey of 1-[2-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoylamino]ethyl]imidazole-4-carboxylic acid?
The InChIKey is IAIMOIBJJUEEAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N7O3/c19-10(20)8-5-18(7-15-8)4-3-13-11(21)12-2-1-9-14-6-16-17-9/h5-7H,1-4H2,(H,19,20)(H2,12,13,21)(H,14,16,17).
What are the key properties of 1-[2-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoylamino]ethyl]imidazole-4-carboxylic acid?
1-[2-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoylamino]ethyl]imidazole-4-carboxylic acid has a molecular weight of 293.29 g/mol, XLogP of -0.76, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoylamino]ethyl]imidazole-4-carboxylic acid is sourced from PubChem (CID 107497713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).