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

C11H14N6O — CID 61260329

IUPACN-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-1H-pyrazole-4-carboxamide
SMILESCC(NC(=O)c1cn[nH]c1)c1nnc2n1CCC2
InChIInChI=1S/C11H14N6O/c1-7(14-11(18)8-5-12-13-6-8)10-16-15-9-3-2-4-17(9)10/h5-7H,2-4H2,1H3,(H,12,13)(H,14,18)
InChIKeyWKNBFKCTQGJBOX-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.44
Rot. Bonds3

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

N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-1H-pyrazole-4-carboxamide (PubChem CID 61260329) has the molecular formula C11H14N6O and a molecular weight of 246.27 g/mol. Its IUPAC name is N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-1H-pyrazole-4-carboxamide
PubChem CID61260329
Molecular FormulaC11H14N6O
Molecular Weight246.27 g/mol
Exact Mass246.12
IUPAC NameN-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-1H-pyrazole-4-carboxamide
SMILESCC(NC(=O)c1cn[nH]c1)c1nnc2n1CCC2
InChIInChI=1S/C11H14N6O/c1-7(14-11(18)8-5-12-13-6-8)10-16-15-9-3-2-4-17(9)10/h5-7H,2-4H2,1H3,(H,12,13)(H,14,18)
InChIKeyWKNBFKCTQGJBOX-UHFFFAOYSA-N
XLogP0.44
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-1H-pyrazole-4-carboxamide (CID 61260329) is N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-1H-pyrazole-4-carboxamide is CC(NC(=O)c1cn[nH]c1)c1nnc2n1CCC2.
What is the InChIKey of N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-1H-pyrazole-4-carboxamide?
The InChIKey is WKNBFKCTQGJBOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O/c1-7(14-11(18)8-5-12-13-6-8)10-16-15-9-3-2-4-17(9)10/h5-7H,2-4H2,1H3,(H,12,13)(H,14,18).
What are the key properties of N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-1H-pyrazole-4-carboxamide?
N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-1H-pyrazole-4-carboxamide has a molecular weight of 246.27 g/mol, XLogP of 0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 61260329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).