6-pyrrolidin-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine

C9H11N5 — CID 84771120

IUPAC6-pyrrolidin-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESc1nc2ncc(C3CCCN3)cn2n1
InChIInChI=1S/C9H11N5/c1-2-8(10-3-1)7-4-11-9-12-6-13-14(9)5-7/h4-6,8,10H,1-3H2
InChIKeyCSFOWXCKRMPQDD-UHFFFAOYSA-N
MW189.22 g/mol
LogP0.55
Rot. Bonds1

About 6-pyrrolidin-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine

6-pyrrolidin-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 84771120) has the molecular formula C9H11N5 and a molecular weight of 189.22 g/mol. Its IUPAC name is 6-pyrrolidin-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name6-pyrrolidin-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID84771120
Molecular FormulaC9H11N5
Molecular Weight189.22 g/mol
Exact Mass189.10
IUPAC Name6-pyrrolidin-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESc1nc2ncc(C3CCCN3)cn2n1
InChIInChI=1S/C9H11N5/c1-2-8(10-3-1)7-4-11-9-12-6-13-14(9)5-7/h4-6,8,10H,1-3H2
InChIKeyCSFOWXCKRMPQDD-UHFFFAOYSA-N
XLogP0.55
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-[(2R)-pyrrolidin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine
CID 130615777
1-propan-2-yl-4-pyrrolidin-2-ylpyrazole
CID 83828132
1-tert-butyl-4-pyrrolidin-2-ylpyrazole
CID 155175834
8-pyrrolidin-2-yl-[1,2,4]triazolo[1,5-a]pyridine
CID 83829122
1-(2-methylpropyl)-4-pyrrolidin-2-ylpyrazole
CID 112757904
6-methyl-3-pyrrolidin-2-ylimidazo[1,2-a]pyrimidine
CID 83832052
4-[(2R)-pyrrolidin-2-yl]pyridine;hydrochloride
CID 171195835
2-methyl-5-pyrrolidin-2-ylpyridine;dihydrochloride
CID 170920850
5-piperidin-2-ylpyrimidin-2-amine
CID 82409904
1,5-dimethyl-4-[(2S)-pyrrolidin-2-yl]pyrazole
CID 96736955
(2S)-2-(4-chlorophenyl)pyrrolidine
CID 7009380
(2R)-2-(4-methylphenyl)pyrrolidine
CID 7047871

Frequently Asked Questions

What is the IUPAC name of 6-pyrrolidin-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 6-pyrrolidin-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 84771120) is 6-pyrrolidin-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 6-pyrrolidin-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 6-pyrrolidin-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine is c1nc2ncc(C3CCCN3)cn2n1.
What is the InChIKey of 6-pyrrolidin-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is CSFOWXCKRMPQDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5/c1-2-8(10-3-1)7-4-11-9-12-6-13-14(9)5-7/h4-6,8,10H,1-3H2.
What are the key properties of 6-pyrrolidin-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
6-pyrrolidin-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 189.22 g/mol, XLogP of 0.55, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyrrolidin-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 84771120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).