N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-4-hydroxy-N-methylpyrrolidine-2-carboxamide

C12H19N5O2 — CID 54872762

IUPACN-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-4-hydroxy-N-methylpyrrolidine-2-carboxamide
SMILESCN(Cc1nnc2n1CCC2)C(=O)C1CC(O)CN1
InChIInChI=1S/C12H19N5O2/c1-16(12(19)9-5-8(18)6-13-9)7-11-15-14-10-3-2-4-17(10)11/h8-9,13,18H,2-7H2,1H3
InChIKeySVZCLPDJEGQLEA-UHFFFAOYSA-N
MW265.32 g/mol
LogP-1.09
Rot. Bonds3

About N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-4-hydroxy-N-methylpyrrolidine-2-carboxamide

N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-4-hydroxy-N-methylpyrrolidine-2-carboxamide (PubChem CID 54872762) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-4-hydroxy-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-4-hydroxy-N-methylpyrrolidine-2-carboxamide
PubChem CID54872762
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC NameN-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-4-hydroxy-N-methylpyrrolidine-2-carboxamide
SMILESCN(Cc1nnc2n1CCC2)C(=O)C1CC(O)CN1
InChIInChI=1S/C12H19N5O2/c1-16(12(19)9-5-8(18)6-13-9)7-11-15-14-10-3-2-4-17(10)11/h8-9,13,18H,2-7H2,1H3
InChIKeySVZCLPDJEGQLEA-UHFFFAOYSA-N
XLogP-1.09
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 5-1.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-4-hydroxy-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-4-hydroxy-N-methylpyrrolidine-2-carboxamide (CID 54872762) is N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-4-hydroxy-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-4-hydroxy-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-4-hydroxy-N-methylpyrrolidine-2-carboxamide is CN(Cc1nnc2n1CCC2)C(=O)C1CC(O)CN1.
What is the InChIKey of N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-4-hydroxy-N-methylpyrrolidine-2-carboxamide?
The InChIKey is SVZCLPDJEGQLEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2/c1-16(12(19)9-5-8(18)6-13-9)7-11-15-14-10-3-2-4-17(10)11/h8-9,13,18H,2-7H2,1H3.
What are the key properties of N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-4-hydroxy-N-methylpyrrolidine-2-carboxamide?
N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-4-hydroxy-N-methylpyrrolidine-2-carboxamide has a molecular weight of 265.32 g/mol, XLogP of -1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-4-hydroxy-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 54872762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).