[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrrolidin-2-yl]methanamine

C12H17N5 — CID 113284583

IUPAC[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrrolidin-2-yl]methanamine
SMILESCc1cccc2nc(N3CCCC3CN)nn12
InChIInChI=1S/C12H17N5/c1-9-4-2-6-11-14-12(15-17(9)11)16-7-3-5-10(16)8-13/h2,4,6,10H,3,5,7-8,13H2,1H3
InChIKeyFBTVYDNRUVNHIJ-UHFFFAOYSA-N
MW231.30 g/mol
LogP0.97
Rot. Bonds2

About [1-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrrolidin-2-yl]methanamine

[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrrolidin-2-yl]methanamine (PubChem CID 113284583) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is [1-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrrolidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrrolidin-2-yl]methanamine
PubChem CID113284583
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC Name[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrrolidin-2-yl]methanamine
SMILESCc1cccc2nc(N3CCCC3CN)nn12
InChIInChI=1S/C12H17N5/c1-9-4-2-6-11-14-12(15-17(9)11)16-7-3-5-10(16)8-13/h2,4,6,10H,3,5,7-8,13H2,1H3
InChIKeyFBTVYDNRUVNHIJ-UHFFFAOYSA-N
XLogP0.97
TPSA59.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-yl]methanamine
CID 16643268
[1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-yl]methanamine;hydrochloride
CID 71638307
[1-(6-bromo-2-pyridinyl)pyrrolidin-2-yl]methanamine
CID 71644668
[1-(6-chloro-2-pyridinyl)pyrrolidin-2-yl]methanamine;hydrochloride
CID 23369489
[1-(2-methylquinazolin-5-yl)pyrrolidin-2-yl]methanamine
CID 82386767
[1-(5-ethyl-4-methylpyrimidin-2-yl)pyrrolidin-2-yl]methanamine
CID 103279196
[1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]methanamine
CID 62593689
[1-(5-tert-butylpyrimidin-2-yl)pyrrolidin-2-yl]methanamine
CID 103279190
[1-[4-(3-methylphenyl)pyrimidin-2-yl]piperidin-2-yl]methanamine
CID 103279176
[1-[4-(furan-2-yl)-5-methylpyrimidin-2-yl]pyrrolidin-2-yl]methanamine
CID 103279211
[2-[(1-methylpiperidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methanamine
CID 117132138
[1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]methanamine
CID 71644678

Frequently Asked Questions

What is the IUPAC name of [1-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrrolidin-2-yl]methanamine?
The IUPAC name of [1-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrrolidin-2-yl]methanamine (CID 113284583) is [1-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrrolidin-2-yl]methanamine.
What is the SMILES notation for [1-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrrolidin-2-yl]methanamine?
The canonical SMILES for [1-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrrolidin-2-yl]methanamine is Cc1cccc2nc(N3CCCC3CN)nn12.
What is the InChIKey of [1-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrrolidin-2-yl]methanamine?
The InChIKey is FBTVYDNRUVNHIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-9-4-2-6-11-14-12(15-17(9)11)16-7-3-5-10(16)8-13/h2,4,6,10H,3,5,7-8,13H2,1H3.
What are the key properties of [1-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrrolidin-2-yl]methanamine?
[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrrolidin-2-yl]methanamine has a molecular weight of 231.30 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrrolidin-2-yl]methanamine is sourced from PubChem (CID 113284583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).