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

C7H12N4O — CID 129236205

IUPAC(3S,4S)-4-(4-methyltriazol-1-yl)pyrrolidin-3-ol
SMILESCc1cn([C@H]2CNC[C@@H]2O)nn1
InChIInChI=1S/C7H12N4O/c1-5-4-11(10-9-5)6-2-8-3-7(6)12/h4,6-8,12H,2-3H2,1H3/t6-,7-/m0/s1
InChIKeyGKONUWGZSOBGHH-BQBZGAKWSA-N
MW168.20 g/mol
LogP-0.91
Rot. Bonds1

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

(3S,4S)-4-(4-methyltriazol-1-yl)pyrrolidin-3-ol (PubChem CID 129236205) has the molecular formula C7H12N4O and a molecular weight of 168.20 g/mol. Its IUPAC name is (3S,4S)-4-(4-methyltriazol-1-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S,4S)-4-(4-methyltriazol-1-yl)pyrrolidin-3-ol
PubChem CID129236205
Molecular FormulaC7H12N4O
Molecular Weight168.20 g/mol
Exact Mass168.10
IUPAC Name(3S,4S)-4-(4-methyltriazol-1-yl)pyrrolidin-3-ol
SMILESCc1cn([C@H]2CNC[C@@H]2O)nn1
InChIInChI=1S/C7H12N4O/c1-5-4-11(10-9-5)6-2-8-3-7(6)12/h4,6-8,12H,2-3H2,1H3/t6-,7-/m0/s1
InChIKeyGKONUWGZSOBGHH-BQBZGAKWSA-N
XLogP-0.91
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 5-0.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-(4-methyltriazol-1-yl)pyrrolidin-3-ol?
The IUPAC name of (3S,4S)-4-(4-methyltriazol-1-yl)pyrrolidin-3-ol (CID 129236205) is (3S,4S)-4-(4-methyltriazol-1-yl)pyrrolidin-3-ol.
What is the SMILES notation for (3S,4S)-4-(4-methyltriazol-1-yl)pyrrolidin-3-ol?
The canonical SMILES for (3S,4S)-4-(4-methyltriazol-1-yl)pyrrolidin-3-ol is Cc1cn([C@H]2CNC[C@@H]2O)nn1.
What is the InChIKey of (3S,4S)-4-(4-methyltriazol-1-yl)pyrrolidin-3-ol?
The InChIKey is GKONUWGZSOBGHH-BQBZGAKWSA-N. The full InChI is InChI=1S/C7H12N4O/c1-5-4-11(10-9-5)6-2-8-3-7(6)12/h4,6-8,12H,2-3H2,1H3/t6-,7-/m0/s1.
What are the key properties of (3S,4S)-4-(4-methyltriazol-1-yl)pyrrolidin-3-ol?
(3S,4S)-4-(4-methyltriazol-1-yl)pyrrolidin-3-ol has a molecular weight of 168.20 g/mol, XLogP of -0.91, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-(4-methyltriazol-1-yl)pyrrolidin-3-ol is sourced from PubChem (CID 129236205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).