(2S)-1-[(2S)-2-amino-5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-5-oxopentanoyl]pyrrolidine-2-carbonitrile

C15H21N7O2 — CID 44572978

IUPAC(2S)-1-[(2S)-2-amino-5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-5-oxopentanoyl]pyrrolidine-2-carbonitrile
SMILESN#C[C@@H]1CCCN1C(=O)[C@@H](N)CCC(=O)N1CCn2cnnc2C1
InChIInChI=1S/C15H21N7O2/c16-8-11-2-1-5-22(11)15(24)12(17)3-4-14(23)20-6-7-21-10-18-19-13(21)9-20/h10-12H,1-7,9,17H2/t11-,12-/m0/s1
InChIKeyLOMDPCHZUPJJSI-RYUDHWBXSA-N
MW331.38 g/mol
LogP-0.76
Rot. Bonds4

About (2S)-1-[(2S)-2-amino-5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-5-oxopentanoyl]pyrrolidine-2-carbonitrile

(2S)-1-[(2S)-2-amino-5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-5-oxopentanoyl]pyrrolidine-2-carbonitrile (PubChem CID 44572978) has the molecular formula C15H21N7O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is (2S)-1-[(2S)-2-amino-5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-5-oxopentanoyl]pyrrolidine-2-carbonitrile.

Molecular Properties

Compound Name(2S)-1-[(2S)-2-amino-5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-5-oxopentanoyl]pyrrolidine-2-carbonitrile
PubChem CID44572978
Molecular FormulaC15H21N7O2
Molecular Weight331.38 g/mol
Exact Mass331.18
IUPAC Name(2S)-1-[(2S)-2-amino-5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-5-oxopentanoyl]pyrrolidine-2-carbonitrile
SMILESN#C[C@@H]1CCCN1C(=O)[C@@H](N)CCC(=O)N1CCn2cnnc2C1
InChIInChI=1S/C15H21N7O2/c16-8-11-2-1-5-22(11)15(24)12(17)3-4-14(23)20-6-7-21-10-18-19-13(21)9-20/h10-12H,1-7,9,17H2/t11-,12-/m0/s1
InChIKeyLOMDPCHZUPJJSI-RYUDHWBXSA-N
XLogP-0.76
TPSA121.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 5-0.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2S)-1-[(2S)-2-amino-5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-5-oxopentanoyl]pyrrolidine-2-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2S)-2-amino-5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-5-oxopentanoyl]pyrrolidine-2-carbonitrile?
The IUPAC name of (2S)-1-[(2S)-2-amino-5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-5-oxopentanoyl]pyrrolidine-2-carbonitrile (CID 44572978) is (2S)-1-[(2S)-2-amino-5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-5-oxopentanoyl]pyrrolidine-2-carbonitrile.
What is the SMILES notation for (2S)-1-[(2S)-2-amino-5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-5-oxopentanoyl]pyrrolidine-2-carbonitrile?
The canonical SMILES for (2S)-1-[(2S)-2-amino-5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-5-oxopentanoyl]pyrrolidine-2-carbonitrile is N#C[C@@H]1CCCN1C(=O)[C@@H](N)CCC(=O)N1CCn2cnnc2C1.
What is the InChIKey of (2S)-1-[(2S)-2-amino-5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-5-oxopentanoyl]pyrrolidine-2-carbonitrile?
The InChIKey is LOMDPCHZUPJJSI-RYUDHWBXSA-N. The full InChI is InChI=1S/C15H21N7O2/c16-8-11-2-1-5-22(11)15(24)12(17)3-4-14(23)20-6-7-21-10-18-19-13(21)9-20/h10-12H,1-7,9,17H2/t11-,12-/m0/s1.
What are the key properties of (2S)-1-[(2S)-2-amino-5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-5-oxopentanoyl]pyrrolidine-2-carbonitrile?
(2S)-1-[(2S)-2-amino-5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-5-oxopentanoyl]pyrrolidine-2-carbonitrile has a molecular weight of 331.38 g/mol, XLogP of -0.76, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2S)-2-amino-5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-5-oxopentanoyl]pyrrolidine-2-carbonitrile is sourced from PubChem (CID 44572978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).