(2S,4R)-4-[4-(diethylaminomethyl)triazol-1-yl]-N-ethylpyrrolidine-2-carboxamide

C14H26N6O — CID 56715148

IUPAC(2S,4R)-4-[4-(diethylaminomethyl)triazol-1-yl]-N-ethylpyrrolidine-2-carboxamide
SMILESCCNC(=O)[C@@H]1C[C@@H](n2cc(CN(CC)CC)nn2)CN1
InChIInChI=1S/C14H26N6O/c1-4-15-14(21)13-7-12(8-16-13)20-10-11(17-18-20)9-19(5-2)6-3/h10,12-13,16H,4-9H2,1-3H3,(H,15,21)/t12-,13+/m1/s1
InChIKeySCRYSJQNQVQTSC-OLZOCXBDSA-N
MW294.40 g/mol
LogP0.16
Rot. Bonds7

About (2S,4R)-4-[4-(diethylaminomethyl)triazol-1-yl]-N-ethylpyrrolidine-2-carboxamide

(2S,4R)-4-[4-(diethylaminomethyl)triazol-1-yl]-N-ethylpyrrolidine-2-carboxamide (PubChem CID 56715148) has the molecular formula C14H26N6O and a molecular weight of 294.40 g/mol. Its IUPAC name is (2S,4R)-4-[4-(diethylaminomethyl)triazol-1-yl]-N-ethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-4-[4-(diethylaminomethyl)triazol-1-yl]-N-ethylpyrrolidine-2-carboxamide
PubChem CID56715148
Molecular FormulaC14H26N6O
Molecular Weight294.40 g/mol
Exact Mass294.22
IUPAC Name(2S,4R)-4-[4-(diethylaminomethyl)triazol-1-yl]-N-ethylpyrrolidine-2-carboxamide
SMILESCCNC(=O)[C@@H]1C[C@@H](n2cc(CN(CC)CC)nn2)CN1
InChIInChI=1S/C14H26N6O/c1-4-15-14(21)13-7-12(8-16-13)20-10-11(17-18-20)9-19(5-2)6-3/h10,12-13,16H,4-9H2,1-3H3,(H,15,21)/t12-,13+/m1/s1
InChIKeySCRYSJQNQVQTSC-OLZOCXBDSA-N
XLogP0.16
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2S,4R)-4-[4-(diethylaminomethyl)triazol-1-yl]-N-ethylpyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-[4-(diethylaminomethyl)triazol-1-yl]-N-ethylpyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-4-[4-(diethylaminomethyl)triazol-1-yl]-N-ethylpyrrolidine-2-carboxamide (CID 56715148) is (2S,4R)-4-[4-(diethylaminomethyl)triazol-1-yl]-N-ethylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-4-[4-(diethylaminomethyl)triazol-1-yl]-N-ethylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-4-[4-(diethylaminomethyl)triazol-1-yl]-N-ethylpyrrolidine-2-carboxamide is CCNC(=O)[C@@H]1C[C@@H](n2cc(CN(CC)CC)nn2)CN1.
What is the InChIKey of (2S,4R)-4-[4-(diethylaminomethyl)triazol-1-yl]-N-ethylpyrrolidine-2-carboxamide?
The InChIKey is SCRYSJQNQVQTSC-OLZOCXBDSA-N. The full InChI is InChI=1S/C14H26N6O/c1-4-15-14(21)13-7-12(8-16-13)20-10-11(17-18-20)9-19(5-2)6-3/h10,12-13,16H,4-9H2,1-3H3,(H,15,21)/t12-,13+/m1/s1.
What are the key properties of (2S,4R)-4-[4-(diethylaminomethyl)triazol-1-yl]-N-ethylpyrrolidine-2-carboxamide?
(2S,4R)-4-[4-(diethylaminomethyl)triazol-1-yl]-N-ethylpyrrolidine-2-carboxamide has a molecular weight of 294.40 g/mol, XLogP of 0.16, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-[4-(diethylaminomethyl)triazol-1-yl]-N-ethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 56715148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).