(3S,5S)-5-(4-ethyl-1,2,4-triazol-3-yl)pyrrolidin-3-ol

C8H14N4O — CID 104912641

IUPAC(3S,5S)-5-(4-ethyl-1,2,4-triazol-3-yl)pyrrolidin-3-ol
SMILESCCn1cnnc1[C@@H]1C[C@H](O)CN1
InChIInChI=1S/C8H14N4O/c1-2-12-5-10-11-8(12)7-3-6(13)4-9-7/h5-7,9,13H,2-4H2,1H3/t6-,7-/m0/s1
InChIKeyVEFVBZGRPRIPFL-BQBZGAKWSA-N
MW182.23 g/mol
LogP-0.31
Rot. Bonds2

About (3S,5S)-5-(4-ethyl-1,2,4-triazol-3-yl)pyrrolidin-3-ol

(3S,5S)-5-(4-ethyl-1,2,4-triazol-3-yl)pyrrolidin-3-ol (PubChem CID 104912641) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is (3S,5S)-5-(4-ethyl-1,2,4-triazol-3-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S,5S)-5-(4-ethyl-1,2,4-triazol-3-yl)pyrrolidin-3-ol
PubChem CID104912641
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name(3S,5S)-5-(4-ethyl-1,2,4-triazol-3-yl)pyrrolidin-3-ol
SMILESCCn1cnnc1[C@@H]1C[C@H](O)CN1
InChIInChI=1S/C8H14N4O/c1-2-12-5-10-11-8(12)7-3-6(13)4-9-7/h5-7,9,13H,2-4H2,1H3/t6-,7-/m0/s1
InChIKeyVEFVBZGRPRIPFL-BQBZGAKWSA-N
XLogP-0.31
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3S,5S)-5-(4-ethyl-1,2,4-triazol-3-yl)pyrrolidin-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

Related Compounds

(3S,5S)-5-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-3-ol
CID 104912639
3-(azetidin-3-yl)-4-ethyl-1,2,4-triazole
CID 79316888
(3S,5S)-5-[4-ethyl-5-(ethylamino)-1,2,4-triazol-3-yl]pyrrolidin-3-ol
CID 104912666
3-(4-ethyl-1,2,4-triazol-3-yl)cyclopentane-1-carboxylic acid
CID 103552373
4-ethyl-3-(3-methylpyrrolidin-2-yl)-1,2,4-triazole
CID 102783739
(3S,5S)-5-[4-(3-fluorophenyl)-1,2,4-triazol-3-yl]pyrrolidin-3-ol
CID 156500367
3-(4-ethyl-1,2,4-triazol-3-yl)piperidine;dihydrochloride
CID 50988337
N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-4-hydroxypyrrolidine-2-carboxamide
CID 119856957
(5S)-5-[4-methyl-5-(methylamino)-1,2,4-triazol-3-yl]pyrrolidin-3-ol
CID 104911717
(2R)-2-(4-propyl-1,2,4-triazol-3-yl)piperidine
CID 94552646
3-(4-propyl-1,2,4-triazol-3-yl)thiomorpholine
CID 82909389
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazolidine-4-carboxamide
CID 103813840

Frequently Asked Questions

What is the IUPAC name of (3S,5S)-5-(4-ethyl-1,2,4-triazol-3-yl)pyrrolidin-3-ol?
The IUPAC name of (3S,5S)-5-(4-ethyl-1,2,4-triazol-3-yl)pyrrolidin-3-ol (CID 104912641) is (3S,5S)-5-(4-ethyl-1,2,4-triazol-3-yl)pyrrolidin-3-ol.
What is the SMILES notation for (3S,5S)-5-(4-ethyl-1,2,4-triazol-3-yl)pyrrolidin-3-ol?
The canonical SMILES for (3S,5S)-5-(4-ethyl-1,2,4-triazol-3-yl)pyrrolidin-3-ol is CCn1cnnc1[C@@H]1C[C@H](O)CN1.
What is the InChIKey of (3S,5S)-5-(4-ethyl-1,2,4-triazol-3-yl)pyrrolidin-3-ol?
The InChIKey is VEFVBZGRPRIPFL-BQBZGAKWSA-N. The full InChI is InChI=1S/C8H14N4O/c1-2-12-5-10-11-8(12)7-3-6(13)4-9-7/h5-7,9,13H,2-4H2,1H3/t6-,7-/m0/s1.
What are the key properties of (3S,5S)-5-(4-ethyl-1,2,4-triazol-3-yl)pyrrolidin-3-ol?
(3S,5S)-5-(4-ethyl-1,2,4-triazol-3-yl)pyrrolidin-3-ol has a molecular weight of 182.23 g/mol, XLogP of -0.31, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-5-(4-ethyl-1,2,4-triazol-3-yl)pyrrolidin-3-ol is sourced from PubChem (CID 104912641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).