3-[(2S)-pyrrolidin-2-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine;dihydrochloride

C10H18Cl2N4 — CID 155943942

IUPAC3-[(2S)-pyrrolidin-2-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine;dihydrochloride
SMILESC1CCn2c(nnc2[C@@H]2CCCN2)C1.Cl.Cl
InChIInChI=1S/C10H16N4.2ClH/c1-2-7-14-9(5-1)12-13-10(14)8-4-3-6-11-8;;/h8,11H,1-7H2;2*1H/t8-;;/m0../s1
InChIKeyOJXZGQRIGOMYJE-JZGIKJSDSA-N
MW265.19 g/mol
LogP1.88
Rot. Bonds1

About 3-[(2S)-pyrrolidin-2-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine;dihydrochloride

3-[(2S)-pyrrolidin-2-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine;dihydrochloride (PubChem CID 155943942) has the molecular formula C10H18Cl2N4 and a molecular weight of 265.19 g/mol. Its IUPAC name is 3-[(2S)-pyrrolidin-2-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine;dihydrochloride.

Molecular Properties

Compound Name3-[(2S)-pyrrolidin-2-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine;dihydrochloride
PubChem CID155943942
Molecular FormulaC10H18Cl2N4
Molecular Weight265.19 g/mol
Exact Mass264.09
IUPAC Name3-[(2S)-pyrrolidin-2-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine;dihydrochloride
SMILESC1CCn2c(nnc2[C@@H]2CCCN2)C1.Cl.Cl
InChIInChI=1S/C10H16N4.2ClH/c1-2-7-14-9(5-1)12-13-10(14)8-4-3-6-11-8;;/h8,11H,1-7H2;2*1H/t8-;;/m0../s1
InChIKeyOJXZGQRIGOMYJE-JZGIKJSDSA-N
XLogP1.88
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.19
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[(2S)-pyrrolidin-2-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine;dihydrochloride with MolForge

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Related Compounds

(5,6,7,8-Tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanamine
CID 16767493
3-(propan-2-yl)-5H,6H,7H,8H-(1,2,4)triazolo(4,3-a)pyridin-6-amine
CID 50986550
3-methyl-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 50987769
3-ethyl-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 50987852
3-cyclopentyl-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine
CID 62585362
3-cyclopentyl-8-methyl-5H,6H,7H,8H-(1,2,4)triazolo(4,3-a)pyrazine
CID 62585370
2-ethyl-5H,6H,7H,8H-[1,2,4]triazolo[1,5-a]pyridin-8-amine
CID 71695325
1-{5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-3-yl}ethan-1-amine
CID 71695363
3,8-dimethyl-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine
CID 60728056
3-methyl-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 71755432
pyrrolidin-1-yl-(3-pyrrolidin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
CID 118740465
N-propan-2-yl-3-pyrrolidin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide
CID 118740466

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-pyrrolidin-2-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine;dihydrochloride?
The IUPAC name of 3-[(2S)-pyrrolidin-2-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine;dihydrochloride (CID 155943942) is 3-[(2S)-pyrrolidin-2-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine;dihydrochloride.
What is the SMILES notation for 3-[(2S)-pyrrolidin-2-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine;dihydrochloride?
The canonical SMILES for 3-[(2S)-pyrrolidin-2-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine;dihydrochloride is C1CCn2c(nnc2[C@@H]2CCCN2)C1.Cl.Cl.
What is the InChIKey of 3-[(2S)-pyrrolidin-2-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine;dihydrochloride?
The InChIKey is OJXZGQRIGOMYJE-JZGIKJSDSA-N. The full InChI is InChI=1S/C10H16N4.2ClH/c1-2-7-14-9(5-1)12-13-10(14)8-4-3-6-11-8;;/h8,11H,1-7H2;2*1H/t8-;;/m0../s1.
What are the key properties of 3-[(2S)-pyrrolidin-2-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine;dihydrochloride?
3-[(2S)-pyrrolidin-2-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine;dihydrochloride has a molecular weight of 265.19 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-pyrrolidin-2-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine;dihydrochloride is sourced from PubChem (CID 155943942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).