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

C12H19N5O2 — CID 43698153

IUPACN-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-4-hydroxypyrrolidine-2-carboxamide
SMILESCC(NC(=O)C1CC(O)CN1)c1nnc2n1CCC2
InChIInChI=1S/C12H19N5O2/c1-7(11-16-15-10-3-2-4-17(10)11)14-12(19)9-5-8(18)6-13-9/h7-9,13,18H,2-6H2,1H3,(H,14,19)
InChIKeyDGZBVQLSPIEHOB-UHFFFAOYSA-N
MW265.32 g/mol
LogP-0.88
Rot. Bonds3

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

N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-4-hydroxypyrrolidine-2-carboxamide (PubChem CID 43698153) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-4-hydroxypyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-4-hydroxypyrrolidine-2-carboxamide
PubChem CID43698153
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC NameN-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-4-hydroxypyrrolidine-2-carboxamide
SMILESCC(NC(=O)C1CC(O)CN1)c1nnc2n1CCC2
InChIInChI=1S/C12H19N5O2/c1-7(11-16-15-10-3-2-4-17(10)11)14-12(19)9-5-8(18)6-13-9/h7-9,13,18H,2-6H2,1H3,(H,14,19)
InChIKeyDGZBVQLSPIEHOB-UHFFFAOYSA-N
XLogP-0.88
TPSA92.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 5-0.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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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]-4-hydroxypyrrolidine-2-carboxamide?
The IUPAC name of N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-4-hydroxypyrrolidine-2-carboxamide (CID 43698153) is N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-4-hydroxypyrrolidine-2-carboxamide.
What is the SMILES notation for N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-4-hydroxypyrrolidine-2-carboxamide?
The canonical SMILES for N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-4-hydroxypyrrolidine-2-carboxamide is CC(NC(=O)C1CC(O)CN1)c1nnc2n1CCC2.
What is the InChIKey of N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-4-hydroxypyrrolidine-2-carboxamide?
The InChIKey is DGZBVQLSPIEHOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2/c1-7(11-16-15-10-3-2-4-17(10)11)14-12(19)9-5-8(18)6-13-9/h7-9,13,18H,2-6H2,1H3,(H,14,19).
What are the key properties of N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-4-hydroxypyrrolidine-2-carboxamide?
N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-4-hydroxypyrrolidine-2-carboxamide has a molecular weight of 265.32 g/mol, XLogP of -0.88, 3 rotatable bonds, 3 hydrogen bond donors, and 6 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]-4-hydroxypyrrolidine-2-carboxamide is sourced from PubChem (CID 43698153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).