(3S,4S)-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-piperidin-1-ylpyrrolidin-3-ol

C14H25N5O — CID 77078671

IUPAC(3S,4S)-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-piperidin-1-ylpyrrolidin-3-ol
SMILESCCn1ncnc1CN1C[C@H](O)[C@@H](N2CCCCC2)C1
InChIInChI=1S/C14H25N5O/c1-2-19-14(15-11-16-19)10-17-8-12(13(20)9-17)18-6-4-3-5-7-18/h11-13,20H,2-10H2,1H3/t12-,13-/m0/s1
InChIKeyRGMPZYDIFSDKSH-STQMWFEESA-N
MW279.39 g/mol
LogP0.33
Rot. Bonds4

About (3S,4S)-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-piperidin-1-ylpyrrolidin-3-ol

(3S,4S)-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-piperidin-1-ylpyrrolidin-3-ol (PubChem CID 77078671) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is (3S,4S)-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-piperidin-1-ylpyrrolidin-3-ol.

Molecular Properties

Compound Name(3S,4S)-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-piperidin-1-ylpyrrolidin-3-ol
PubChem CID77078671
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC Name(3S,4S)-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-piperidin-1-ylpyrrolidin-3-ol
SMILESCCn1ncnc1CN1C[C@H](O)[C@@H](N2CCCCC2)C1
InChIInChI=1S/C14H25N5O/c1-2-19-14(15-11-16-19)10-17-8-12(13(20)9-17)18-6-4-3-5-7-18/h11-13,20H,2-10H2,1H3/t12-,13-/m0/s1
InChIKeyRGMPZYDIFSDKSH-STQMWFEESA-N
XLogP0.33
TPSA57.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3S,4S)-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-piperidin-1-ylpyrrolidin-3-ol 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 (3S,4S)-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-piperidin-1-ylpyrrolidin-3-ol?
The IUPAC name of (3S,4S)-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-piperidin-1-ylpyrrolidin-3-ol (CID 77078671) is (3S,4S)-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-piperidin-1-ylpyrrolidin-3-ol.
What is the SMILES notation for (3S,4S)-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-piperidin-1-ylpyrrolidin-3-ol?
The canonical SMILES for (3S,4S)-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-piperidin-1-ylpyrrolidin-3-ol is CCn1ncnc1CN1C[C@H](O)[C@@H](N2CCCCC2)C1.
What is the InChIKey of (3S,4S)-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-piperidin-1-ylpyrrolidin-3-ol?
The InChIKey is RGMPZYDIFSDKSH-STQMWFEESA-N. The full InChI is InChI=1S/C14H25N5O/c1-2-19-14(15-11-16-19)10-17-8-12(13(20)9-17)18-6-4-3-5-7-18/h11-13,20H,2-10H2,1H3/t12-,13-/m0/s1.
What are the key properties of (3S,4S)-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-piperidin-1-ylpyrrolidin-3-ol?
(3S,4S)-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-piperidin-1-ylpyrrolidin-3-ol has a molecular weight of 279.39 g/mol, XLogP of 0.33, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-piperidin-1-ylpyrrolidin-3-ol is sourced from PubChem (CID 77078671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).