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

C6H10N4O — CID 104912637

IUPAC(3S,5S)-5-(1H-1,2,4-triazol-5-yl)pyrrolidin-3-ol
SMILESO[C@@H]1CN[C@H](c2ncn[nH]2)C1
InChIInChI=1S/C6H10N4O/c11-4-1-5(7-2-4)6-8-3-9-10-6/h3-5,7,11H,1-2H2,(H,8,9,10)/t4-,5-/m0/s1
InChIKeyYWUFTFLNKNKHSF-WHFBIAKZSA-N
MW154.17 g/mol
LogP-0.80
Rot. Bonds1

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

(3S,5S)-5-(1H-1,2,4-triazol-5-yl)pyrrolidin-3-ol (PubChem CID 104912637) has the molecular formula C6H10N4O and a molecular weight of 154.17 g/mol. Its IUPAC name is (3S,5S)-5-(1H-1,2,4-triazol-5-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S,5S)-5-(1H-1,2,4-triazol-5-yl)pyrrolidin-3-ol
PubChem CID104912637
Molecular FormulaC6H10N4O
Molecular Weight154.17 g/mol
Exact Mass154.09
IUPAC Name(3S,5S)-5-(1H-1,2,4-triazol-5-yl)pyrrolidin-3-ol
SMILESO[C@@H]1CN[C@H](c2ncn[nH]2)C1
InChIInChI=1S/C6H10N4O/c11-4-1-5(7-2-4)6-8-3-9-10-6/h3-5,7,11H,1-2H2,(H,8,9,10)/t4-,5-/m0/s1
InChIKeyYWUFTFLNKNKHSF-WHFBIAKZSA-N
XLogP-0.80
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 5-0.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S,5S)-5-(1H-1,2,4-triazol-5-yl)pyrrolidin-3-ol?
The IUPAC name of (3S,5S)-5-(1H-1,2,4-triazol-5-yl)pyrrolidin-3-ol (CID 104912637) is (3S,5S)-5-(1H-1,2,4-triazol-5-yl)pyrrolidin-3-ol.
What is the SMILES notation for (3S,5S)-5-(1H-1,2,4-triazol-5-yl)pyrrolidin-3-ol?
The canonical SMILES for (3S,5S)-5-(1H-1,2,4-triazol-5-yl)pyrrolidin-3-ol is O[C@@H]1CN[C@H](c2ncn[nH]2)C1.
What is the InChIKey of (3S,5S)-5-(1H-1,2,4-triazol-5-yl)pyrrolidin-3-ol?
The InChIKey is YWUFTFLNKNKHSF-WHFBIAKZSA-N. The full InChI is InChI=1S/C6H10N4O/c11-4-1-5(7-2-4)6-8-3-9-10-6/h3-5,7,11H,1-2H2,(H,8,9,10)/t4-,5-/m0/s1.
What are the key properties of (3S,5S)-5-(1H-1,2,4-triazol-5-yl)pyrrolidin-3-ol?
(3S,5S)-5-(1H-1,2,4-triazol-5-yl)pyrrolidin-3-ol has a molecular weight of 154.17 g/mol, XLogP of -0.80, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-5-(1H-1,2,4-triazol-5-yl)pyrrolidin-3-ol is sourced from PubChem (CID 104912637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).