(S)-pyrrolidin-2-yl(1H-1,2,4-triazol-5-yl)methanol;hydrochloride

C7H13ClN4O — CID 166485761

IUPAC(S)-pyrrolidin-2-yl(1H-1,2,4-triazol-5-yl)methanol;hydrochloride
SMILESCl.O[C@H](c1ncn[nH]1)C1CCCN1
InChIInChI=1S/C7H12N4O.ClH/c12-6(5-2-1-3-8-5)7-9-4-10-11-7;/h4-6,8,12H,1-3H2,(H,9,10,11);1H/t5?,6-;/m0./s1
InChIKeyPSQKBNNRDIXFGW-PQAGPIFVSA-N
MW204.66 g/mol
LogP0.01
Rot. Bonds2

About (S)-pyrrolidin-2-yl(1H-1,2,4-triazol-5-yl)methanol;hydrochloride

(S)-pyrrolidin-2-yl(1H-1,2,4-triazol-5-yl)methanol;hydrochloride (PubChem CID 166485761) has the molecular formula C7H13ClN4O and a molecular weight of 204.66 g/mol. Its IUPAC name is (S)-pyrrolidin-2-yl(1H-1,2,4-triazol-5-yl)methanol;hydrochloride.

Molecular Properties

Compound Name(S)-pyrrolidin-2-yl(1H-1,2,4-triazol-5-yl)methanol;hydrochloride
PubChem CID166485761
Molecular FormulaC7H13ClN4O
Molecular Weight204.66 g/mol
Exact Mass204.08
IUPAC Name(S)-pyrrolidin-2-yl(1H-1,2,4-triazol-5-yl)methanol;hydrochloride
SMILESCl.O[C@H](c1ncn[nH]1)C1CCCN1
InChIInChI=1S/C7H12N4O.ClH/c12-6(5-2-1-3-8-5)7-9-4-10-11-7;/h4-6,8,12H,1-3H2,(H,9,10,11);1H/t5?,6-;/m0./s1
InChIKeyPSQKBNNRDIXFGW-PQAGPIFVSA-N
XLogP0.01
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.66
LogP ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (S)-pyrrolidin-2-yl(1H-1,2,4-triazol-5-yl)methanol;hydrochloride 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

CID 80006554
CID 80006554
CID 138040909
CID 138040909
CID 165587077
CID 165587077
CID 118525716
CID 118525716
CID 118525717
CID 118525717
CID 126732314
CID 126732314
CID 166485711
CID 166485711
CID 166485810
CID 166485810
CID 175152592
CID 175152592
CID 65362647
CID 65362647
CID 104911664
CID 104911664
CID 104911665
CID 104911665

Frequently Asked Questions

What is the IUPAC name of (S)-pyrrolidin-2-yl(1H-1,2,4-triazol-5-yl)methanol;hydrochloride?
The IUPAC name of (S)-pyrrolidin-2-yl(1H-1,2,4-triazol-5-yl)methanol;hydrochloride (CID 166485761) is (S)-pyrrolidin-2-yl(1H-1,2,4-triazol-5-yl)methanol;hydrochloride.
What is the SMILES notation for (S)-pyrrolidin-2-yl(1H-1,2,4-triazol-5-yl)methanol;hydrochloride?
The canonical SMILES for (S)-pyrrolidin-2-yl(1H-1,2,4-triazol-5-yl)methanol;hydrochloride is Cl.O[C@H](c1ncn[nH]1)C1CCCN1.
What is the InChIKey of (S)-pyrrolidin-2-yl(1H-1,2,4-triazol-5-yl)methanol;hydrochloride?
The InChIKey is PSQKBNNRDIXFGW-PQAGPIFVSA-N. The full InChI is InChI=1S/C7H12N4O.ClH/c12-6(5-2-1-3-8-5)7-9-4-10-11-7;/h4-6,8,12H,1-3H2,(H,9,10,11);1H/t5?,6-;/m0./s1.
What are the key properties of (S)-pyrrolidin-2-yl(1H-1,2,4-triazol-5-yl)methanol;hydrochloride?
(S)-pyrrolidin-2-yl(1H-1,2,4-triazol-5-yl)methanol;hydrochloride has a molecular weight of 204.66 g/mol, XLogP of 0.01, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-pyrrolidin-2-yl(1H-1,2,4-triazol-5-yl)methanol;hydrochloride is sourced from PubChem (CID 166485761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).