(2S,4R)-4-[4-[(dimethylamino)methyl]triazol-1-yl]-N,N-diethylpyrrolidine-2-carboxamide

C14H26N6O — CID 56710442

IUPAC(2S,4R)-4-[4-[(dimethylamino)methyl]triazol-1-yl]-N,N-diethylpyrrolidine-2-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1C[C@@H](n2cc(CN(C)C)nn2)CN1
InChIInChI=1S/C14H26N6O/c1-5-19(6-2)14(21)13-7-12(8-15-13)20-10-11(16-17-20)9-18(3)4/h10,12-13,15H,5-9H2,1-4H3/t12-,13+/m1/s1
InChIKeyZRWXTUVEGCGJCK-OLZOCXBDSA-N
MW294.40 g/mol
LogP0.11
Rot. Bonds6

About (2S,4R)-4-[4-[(dimethylamino)methyl]triazol-1-yl]-N,N-diethylpyrrolidine-2-carboxamide

(2S,4R)-4-[4-[(dimethylamino)methyl]triazol-1-yl]-N,N-diethylpyrrolidine-2-carboxamide (PubChem CID 56710442) has the molecular formula C14H26N6O and a molecular weight of 294.40 g/mol. Its IUPAC name is (2S,4R)-4-[4-[(dimethylamino)methyl]triazol-1-yl]-N,N-diethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-4-[4-[(dimethylamino)methyl]triazol-1-yl]-N,N-diethylpyrrolidine-2-carboxamide
PubChem CID56710442
Molecular FormulaC14H26N6O
Molecular Weight294.40 g/mol
Exact Mass294.22
IUPAC Name(2S,4R)-4-[4-[(dimethylamino)methyl]triazol-1-yl]-N,N-diethylpyrrolidine-2-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1C[C@@H](n2cc(CN(C)C)nn2)CN1
InChIInChI=1S/C14H26N6O/c1-5-19(6-2)14(21)13-7-12(8-15-13)20-10-11(16-17-20)9-18(3)4/h10,12-13,15H,5-9H2,1-4H3/t12-,13+/m1/s1
InChIKeyZRWXTUVEGCGJCK-OLZOCXBDSA-N
XLogP0.11
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-[4-[(dimethylamino)methyl]triazol-1-yl]-N,N-diethylpyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-4-[4-[(dimethylamino)methyl]triazol-1-yl]-N,N-diethylpyrrolidine-2-carboxamide (CID 56710442) is (2S,4R)-4-[4-[(dimethylamino)methyl]triazol-1-yl]-N,N-diethylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-4-[4-[(dimethylamino)methyl]triazol-1-yl]-N,N-diethylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-4-[4-[(dimethylamino)methyl]triazol-1-yl]-N,N-diethylpyrrolidine-2-carboxamide is CCN(CC)C(=O)[C@@H]1C[C@@H](n2cc(CN(C)C)nn2)CN1.
What is the InChIKey of (2S,4R)-4-[4-[(dimethylamino)methyl]triazol-1-yl]-N,N-diethylpyrrolidine-2-carboxamide?
The InChIKey is ZRWXTUVEGCGJCK-OLZOCXBDSA-N. The full InChI is InChI=1S/C14H26N6O/c1-5-19(6-2)14(21)13-7-12(8-15-13)20-10-11(16-17-20)9-18(3)4/h10,12-13,15H,5-9H2,1-4H3/t12-,13+/m1/s1.
What are the key properties of (2S,4R)-4-[4-[(dimethylamino)methyl]triazol-1-yl]-N,N-diethylpyrrolidine-2-carboxamide?
(2S,4R)-4-[4-[(dimethylamino)methyl]triazol-1-yl]-N,N-diethylpyrrolidine-2-carboxamide has a molecular weight of 294.40 g/mol, XLogP of 0.11, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-[4-[(dimethylamino)methyl]triazol-1-yl]-N,N-diethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 56710442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).