(2S,3S)-2-amino-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-N,3-dimethylpentanamide

C13H23N5O — CID 61163593

IUPAC(2S,3S)-2-amino-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-N,3-dimethylpentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)N(C)Cc1nnc2n1CCC2
InChIInChI=1S/C13H23N5O/c1-4-9(2)12(14)13(19)17(3)8-11-16-15-10-6-5-7-18(10)11/h9,12H,4-8,14H2,1-3H3/t9-,12-/m0/s1
InChIKeyRYYVUPRPHKVMGE-CABZTGNLSA-N
MW265.36 g/mol
LogP0.56
Rot. Bonds5

About (2S,3S)-2-amino-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-N,3-dimethylpentanamide

(2S,3S)-2-amino-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-N,3-dimethylpentanamide (PubChem CID 61163593) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is (2S,3S)-2-amino-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-N,3-dimethylpentanamide.

Molecular Properties

Compound Name(2S,3S)-2-amino-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-N,3-dimethylpentanamide
PubChem CID61163593
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name(2S,3S)-2-amino-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-N,3-dimethylpentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)N(C)Cc1nnc2n1CCC2
InChIInChI=1S/C13H23N5O/c1-4-9(2)12(14)13(19)17(3)8-11-16-15-10-6-5-7-18(10)11/h9,12H,4-8,14H2,1-3H3/t9-,12-/m0/s1
InChIKeyRYYVUPRPHKVMGE-CABZTGNLSA-N
XLogP0.56
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-amino-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-N,3-dimethylpentanamide?
The IUPAC name of (2S,3S)-2-amino-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-N,3-dimethylpentanamide (CID 61163593) is (2S,3S)-2-amino-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-N,3-dimethylpentanamide.
What is the SMILES notation for (2S,3S)-2-amino-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-N,3-dimethylpentanamide?
The canonical SMILES for (2S,3S)-2-amino-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-N,3-dimethylpentanamide is CC[C@H](C)[C@H](N)C(=O)N(C)Cc1nnc2n1CCC2.
What is the InChIKey of (2S,3S)-2-amino-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-N,3-dimethylpentanamide?
The InChIKey is RYYVUPRPHKVMGE-CABZTGNLSA-N. The full InChI is InChI=1S/C13H23N5O/c1-4-9(2)12(14)13(19)17(3)8-11-16-15-10-6-5-7-18(10)11/h9,12H,4-8,14H2,1-3H3/t9-,12-/m0/s1.
What are the key properties of (2S,3S)-2-amino-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-N,3-dimethylpentanamide?
(2S,3S)-2-amino-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-N,3-dimethylpentanamide has a molecular weight of 265.36 g/mol, XLogP of 0.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-amino-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-N,3-dimethylpentanamide is sourced from PubChem (CID 61163593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).