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

C6H10N4O — CID 45083067

IUPAC(3S,4S)-4-(triazol-1-yl)pyrrolidin-3-ol
SMILESO[C@H]1CNC[C@@H]1n1ccnn1
InChIInChI=1S/C6H10N4O/c11-6-4-7-3-5(6)10-2-1-8-9-10/h1-2,5-7,11H,3-4H2/t5-,6-/m0/s1
InChIKeyHWXNIOPASTVKAY-WDSKDSINSA-N
MW154.17 g/mol
LogP-1.22
Rot. Bonds1

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

(3S,4S)-4-(triazol-1-yl)pyrrolidin-3-ol (PubChem CID 45083067) has the molecular formula C6H10N4O and a molecular weight of 154.17 g/mol. Its IUPAC name is (3S,4S)-4-(triazol-1-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S,4S)-4-(triazol-1-yl)pyrrolidin-3-ol
PubChem CID45083067
Molecular FormulaC6H10N4O
Molecular Weight154.17 g/mol
Exact Mass154.09
IUPAC Name(3S,4S)-4-(triazol-1-yl)pyrrolidin-3-ol
SMILESO[C@H]1CNC[C@@H]1n1ccnn1
InChIInChI=1S/C6H10N4O/c11-6-4-7-3-5(6)10-2-1-8-9-10/h1-2,5-7,11H,3-4H2/t5-,6-/m0/s1
InChIKeyHWXNIOPASTVKAY-WDSKDSINSA-N
XLogP-1.22
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 5-1.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-(triazol-1-yl)pyrrolidin-3-ol?
The IUPAC name of (3S,4S)-4-(triazol-1-yl)pyrrolidin-3-ol (CID 45083067) is (3S,4S)-4-(triazol-1-yl)pyrrolidin-3-ol.
What is the SMILES notation for (3S,4S)-4-(triazol-1-yl)pyrrolidin-3-ol?
The canonical SMILES for (3S,4S)-4-(triazol-1-yl)pyrrolidin-3-ol is O[C@H]1CNC[C@@H]1n1ccnn1.
What is the InChIKey of (3S,4S)-4-(triazol-1-yl)pyrrolidin-3-ol?
The InChIKey is HWXNIOPASTVKAY-WDSKDSINSA-N. The full InChI is InChI=1S/C6H10N4O/c11-6-4-7-3-5(6)10-2-1-8-9-10/h1-2,5-7,11H,3-4H2/t5-,6-/m0/s1.
What are the key properties of (3S,4S)-4-(triazol-1-yl)pyrrolidin-3-ol?
(3S,4S)-4-(triazol-1-yl)pyrrolidin-3-ol has a molecular weight of 154.17 g/mol, XLogP of -1.22, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-(triazol-1-yl)pyrrolidin-3-ol is sourced from PubChem (CID 45083067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).