5-[[(3S)-3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]methyl]-N,N-dimethylpyridin-2-amine

C17H24N6 — CID 164632526

IUPAC5-[[(3S)-3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]methyl]-N,N-dimethylpyridin-2-amine
SMILESCN(C)c1ccc(CN2CC[C@H](n3cc(C4CC4)nn3)C2)cn1
InChIInChI=1S/C17H24N6/c1-21(2)17-6-3-13(9-18-17)10-22-8-7-15(11-22)23-12-16(19-20-23)14-4-5-14/h3,6,9,12,14-15H,4-5,7-8,10-11H2,1-2H3/t15-/m0/s1
InChIKeyISMXBBIXFQKLCW-HNNXBMFYSA-N
MW312.42 g/mol
LogP2.06
Rot. Bonds5

About 5-[[(3S)-3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]methyl]-N,N-dimethylpyridin-2-amine

5-[[(3S)-3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]methyl]-N,N-dimethylpyridin-2-amine (PubChem CID 164632526) has the molecular formula C17H24N6 and a molecular weight of 312.42 g/mol. Its IUPAC name is 5-[[(3S)-3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]methyl]-N,N-dimethylpyridin-2-amine.

Molecular Properties

Compound Name5-[[(3S)-3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]methyl]-N,N-dimethylpyridin-2-amine
PubChem CID164632526
Molecular FormulaC17H24N6
Molecular Weight312.42 g/mol
Exact Mass312.21
IUPAC Name5-[[(3S)-3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]methyl]-N,N-dimethylpyridin-2-amine
SMILESCN(C)c1ccc(CN2CC[C@H](n3cc(C4CC4)nn3)C2)cn1
InChIInChI=1S/C17H24N6/c1-21(2)17-6-3-13(9-18-17)10-22-8-7-15(11-22)23-12-16(19-20-23)14-4-5-14/h3,6,9,12,14-15H,4-5,7-8,10-11H2,1-2H3/t15-/m0/s1
InChIKeyISMXBBIXFQKLCW-HNNXBMFYSA-N
XLogP2.06
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[(3S)-3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]methyl]-N,N-dimethylpyridin-2-amine?
The IUPAC name of 5-[[(3S)-3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]methyl]-N,N-dimethylpyridin-2-amine (CID 164632526) is 5-[[(3S)-3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]methyl]-N,N-dimethylpyridin-2-amine.
What is the SMILES notation for 5-[[(3S)-3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]methyl]-N,N-dimethylpyridin-2-amine?
The canonical SMILES for 5-[[(3S)-3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]methyl]-N,N-dimethylpyridin-2-amine is CN(C)c1ccc(CN2CC[C@H](n3cc(C4CC4)nn3)C2)cn1.
What is the InChIKey of 5-[[(3S)-3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]methyl]-N,N-dimethylpyridin-2-amine?
The InChIKey is ISMXBBIXFQKLCW-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H24N6/c1-21(2)17-6-3-13(9-18-17)10-22-8-7-15(11-22)23-12-16(19-20-23)14-4-5-14/h3,6,9,12,14-15H,4-5,7-8,10-11H2,1-2H3/t15-/m0/s1.
What are the key properties of 5-[[(3S)-3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]methyl]-N,N-dimethylpyridin-2-amine?
5-[[(3S)-3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]methyl]-N,N-dimethylpyridin-2-amine has a molecular weight of 312.42 g/mol, XLogP of 2.06, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3S)-3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]methyl]-N,N-dimethylpyridin-2-amine is sourced from PubChem (CID 164632526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).