1-[2-[(5-cyclopropyl-1H-1,2,4-triazole-3-carbonyl)amino]ethyl]imidazole-4-carboxylic acid

C12H14N6O3 — CID 107496294

IUPAC1-[2-[(5-cyclopropyl-1H-1,2,4-triazole-3-carbonyl)amino]ethyl]imidazole-4-carboxylic acid
SMILESO=C(O)c1cn(CCNC(=O)c2n[nH]c(C3CC3)n2)cn1
InChIInChI=1S/C12H14N6O3/c19-11(10-15-9(16-17-10)7-1-2-7)13-3-4-18-5-8(12(20)21)14-6-18/h5-7H,1-4H2,(H,13,19)(H,20,21)(H,15,16,17)
InChIKeyHDWNDGAMWZWCFH-UHFFFAOYSA-N
MW290.28 g/mol
LogP0.01
Rot. Bonds6

About 1-[2-[(5-cyclopropyl-1H-1,2,4-triazole-3-carbonyl)amino]ethyl]imidazole-4-carboxylic acid

1-[2-[(5-cyclopropyl-1H-1,2,4-triazole-3-carbonyl)amino]ethyl]imidazole-4-carboxylic acid (PubChem CID 107496294) has the molecular formula C12H14N6O3 and a molecular weight of 290.28 g/mol. Its IUPAC name is 1-[2-[(5-cyclopropyl-1H-1,2,4-triazole-3-carbonyl)amino]ethyl]imidazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-[(5-cyclopropyl-1H-1,2,4-triazole-3-carbonyl)amino]ethyl]imidazole-4-carboxylic acid
PubChem CID107496294
Molecular FormulaC12H14N6O3
Molecular Weight290.28 g/mol
Exact Mass290.11
IUPAC Name1-[2-[(5-cyclopropyl-1H-1,2,4-triazole-3-carbonyl)amino]ethyl]imidazole-4-carboxylic acid
SMILESO=C(O)c1cn(CCNC(=O)c2n[nH]c(C3CC3)n2)cn1
InChIInChI=1S/C12H14N6O3/c19-11(10-15-9(16-17-10)7-1-2-7)13-3-4-18-5-8(12(20)21)14-6-18/h5-7H,1-4H2,(H,13,19)(H,20,21)(H,15,16,17)
InChIKeyHDWNDGAMWZWCFH-UHFFFAOYSA-N
XLogP0.01
TPSA125.79 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-[(5-methyl-1H-pyrazole-3-carbonyl)amino]ethyl]imidazole-4-carboxylic acid
CID 107497339
5-cyclopropyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-1H-1,2,4-triazole-3-carboxamide
CID 106106202
1-[2-[(2,6-dihydroxybenzoyl)amino]ethyl]imidazole-4-carboxylic acid
CID 107688299
1-[2-(1H-pyrazole-4-carbonylamino)ethyl]imidazole-4-carboxylic acid
CID 107496974
1-[2-(cycloheptanecarbonylamino)ethyl]imidazole-4-carboxylic acid
CID 107496991
1-(2-acetamidoethyl)imidazole-4-carboxylic acid
CID 107496341
5-cyclopropyl-N-(5-hydroxypentyl)-1H-1,2,4-triazole-3-carboxamide
CID 107319577
1-[2-[[2-(cyclopropylamino)acetyl]amino]ethyl]imidazole-4-carboxylic acid
CID 107500551
1-[2-[[cyclopropyl(ethyl)carbamoyl]amino]ethyl]imidazole-4-carboxylic acid
CID 107496897
1-[2-[(2,6-dichlorobenzoyl)amino]ethyl]imidazole-4-carboxylic acid
CID 107496698
1-[2-[(6-fluoropyridine-2-carbonyl)amino]ethyl]imidazole-4-carboxylic acid
CID 107497359
1-[2-[(6-chloropyridine-2-carbonyl)amino]ethyl]imidazole-4-carboxylic acid
CID 107497519

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(5-cyclopropyl-1H-1,2,4-triazole-3-carbonyl)amino]ethyl]imidazole-4-carboxylic acid?
The IUPAC name of 1-[2-[(5-cyclopropyl-1H-1,2,4-triazole-3-carbonyl)amino]ethyl]imidazole-4-carboxylic acid (CID 107496294) is 1-[2-[(5-cyclopropyl-1H-1,2,4-triazole-3-carbonyl)amino]ethyl]imidazole-4-carboxylic acid.
What is the SMILES notation for 1-[2-[(5-cyclopropyl-1H-1,2,4-triazole-3-carbonyl)amino]ethyl]imidazole-4-carboxylic acid?
The canonical SMILES for 1-[2-[(5-cyclopropyl-1H-1,2,4-triazole-3-carbonyl)amino]ethyl]imidazole-4-carboxylic acid is O=C(O)c1cn(CCNC(=O)c2n[nH]c(C3CC3)n2)cn1.
What is the InChIKey of 1-[2-[(5-cyclopropyl-1H-1,2,4-triazole-3-carbonyl)amino]ethyl]imidazole-4-carboxylic acid?
The InChIKey is HDWNDGAMWZWCFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6O3/c19-11(10-15-9(16-17-10)7-1-2-7)13-3-4-18-5-8(12(20)21)14-6-18/h5-7H,1-4H2,(H,13,19)(H,20,21)(H,15,16,17).
What are the key properties of 1-[2-[(5-cyclopropyl-1H-1,2,4-triazole-3-carbonyl)amino]ethyl]imidazole-4-carboxylic acid?
1-[2-[(5-cyclopropyl-1H-1,2,4-triazole-3-carbonyl)amino]ethyl]imidazole-4-carboxylic acid has a molecular weight of 290.28 g/mol, XLogP of 0.01, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(5-cyclopropyl-1H-1,2,4-triazole-3-carbonyl)amino]ethyl]imidazole-4-carboxylic acid is sourced from PubChem (CID 107496294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).