1-(2-aminoethyl)-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]imidazole-4-carboxamide

C13H19N7O — CID 107496209

IUPAC1-(2-aminoethyl)-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]imidazole-4-carboxamide
SMILESCC(NC(=O)c1cn(CCN)cn1)c1nnc2n1CCC2
InChIInChI=1S/C13H19N7O/c1-9(12-18-17-11-3-2-5-20(11)12)16-13(21)10-7-19(6-4-14)8-15-10/h7-9H,2-6,14H2,1H3,(H,16,21)
InChIKeyUXUPPJPPSVOYAE-UHFFFAOYSA-N
MW289.34 g/mol
LogP-0.13
Rot. Bonds5

About 1-(2-aminoethyl)-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]imidazole-4-carboxamide

1-(2-aminoethyl)-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]imidazole-4-carboxamide (PubChem CID 107496209) has the molecular formula C13H19N7O and a molecular weight of 289.34 g/mol. Its IUPAC name is 1-(2-aminoethyl)-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]imidazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-aminoethyl)-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]imidazole-4-carboxamide
PubChem CID107496209
Molecular FormulaC13H19N7O
Molecular Weight289.34 g/mol
Exact Mass289.17
IUPAC Name1-(2-aminoethyl)-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]imidazole-4-carboxamide
SMILESCC(NC(=O)c1cn(CCN)cn1)c1nnc2n1CCC2
InChIInChI=1S/C13H19N7O/c1-9(12-18-17-11-3-2-5-20(11)12)16-13(21)10-7-19(6-4-14)8-15-10/h7-9H,2-6,14H2,1H3,(H,16,21)
InChIKeyUXUPPJPPSVOYAE-UHFFFAOYSA-N
XLogP-0.13
TPSA103.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]imidazole-4-carboxamide?
The IUPAC name of 1-(2-aminoethyl)-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]imidazole-4-carboxamide (CID 107496209) is 1-(2-aminoethyl)-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]imidazole-4-carboxamide.
What is the SMILES notation for 1-(2-aminoethyl)-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]imidazole-4-carboxamide?
The canonical SMILES for 1-(2-aminoethyl)-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]imidazole-4-carboxamide is CC(NC(=O)c1cn(CCN)cn1)c1nnc2n1CCC2.
What is the InChIKey of 1-(2-aminoethyl)-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]imidazole-4-carboxamide?
The InChIKey is UXUPPJPPSVOYAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N7O/c1-9(12-18-17-11-3-2-5-20(11)12)16-13(21)10-7-19(6-4-14)8-15-10/h7-9H,2-6,14H2,1H3,(H,16,21).
What are the key properties of 1-(2-aminoethyl)-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]imidazole-4-carboxamide?
1-(2-aminoethyl)-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]imidazole-4-carboxamide has a molecular weight of 289.34 g/mol, XLogP of -0.13, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]imidazole-4-carboxamide is sourced from PubChem (CID 107496209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).