1-[8-(4-fluoro-1-methylpiperidin-2-yl)-7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-5-yl]-N,2-dimethyl-3-pyrrolidin-1-ylpropan-2-amine

C21H38FN7 — CID 123574046

IUPAC1-[8-(4-fluoro-1-methylpiperidin-2-yl)-7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-5-yl]-N,2-dimethyl-3-pyrrolidin-1-ylpropan-2-amine
SMILESCNC(C)(CC1CN(C)C(C2CC(F)CCN2C)c2nncn21)CN1CCCC1
InChIInChI=1S/C21H38FN7/c1-21(23-2,14-28-8-5-6-9-28)12-17-13-27(4)19(20-25-24-15-29(17)20)18-11-16(22)7-10-26(18)3/h15-19,23H,5-14H2,1-4H3
InChIKeyXYFRHFYELXLWLP-UHFFFAOYSA-N
MW407.58 g/mol
LogP1.70
Rot. Bonds6

About 1-[8-(4-fluoro-1-methylpiperidin-2-yl)-7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-5-yl]-N,2-dimethyl-3-pyrrolidin-1-ylpropan-2-amine

1-[8-(4-fluoro-1-methylpiperidin-2-yl)-7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-5-yl]-N,2-dimethyl-3-pyrrolidin-1-ylpropan-2-amine (PubChem CID 123574046) has the molecular formula C21H38FN7 and a molecular weight of 407.58 g/mol. Its IUPAC name is 1-[8-(4-fluoro-1-methylpiperidin-2-yl)-7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-5-yl]-N,2-dimethyl-3-pyrrolidin-1-ylpropan-2-amine.

Molecular Properties

Compound Name1-[8-(4-fluoro-1-methylpiperidin-2-yl)-7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-5-yl]-N,2-dimethyl-3-pyrrolidin-1-ylpropan-2-amine
PubChem CID123574046
Molecular FormulaC21H38FN7
Molecular Weight407.58 g/mol
Exact Mass407.32
IUPAC Name1-[8-(4-fluoro-1-methylpiperidin-2-yl)-7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-5-yl]-N,2-dimethyl-3-pyrrolidin-1-ylpropan-2-amine
SMILESCNC(C)(CC1CN(C)C(C2CC(F)CCN2C)c2nncn21)CN1CCCC1
InChIInChI=1S/C21H38FN7/c1-21(23-2,14-28-8-5-6-9-28)12-17-13-27(4)19(20-25-24-15-29(17)20)18-11-16(22)7-10-26(18)3/h15-19,23H,5-14H2,1-4H3
InChIKeyXYFRHFYELXLWLP-UHFFFAOYSA-N
XLogP1.70
TPSA52.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.58
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[8-(4-fluoro-1-methylpiperidin-2-yl)-7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-5-yl]-N,2-dimethyl-3-pyrrolidin-1-ylpropan-2-amine with MolForge

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Related Compounds

7-(5,5-dimethylpyrrolidin-3-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 82014470
7-[(2-methylpiperidin-2-yl)methyl]-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 104595132
3-(2-Methylpiperidin-2-yl)-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 104599321
3-(2-Propylpyrrolidin-2-yl)-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 106979427
N'-methyl-N-[(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
CID 120033445
1-methyl-N-[[8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]piperidin-4-amine
CID 136512615
N,2-dimethyl-1-(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-5-yl)-3-pyrrolidin-1-ylpropan-2-amine
CID 123536747
7-[(3-propylpiperidin-3-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 64575062
[4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-propan-2-ylpiperidin-4-yl]methanamine
CID 64575141
7-[(3-methylpiperidin-3-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 64575258
7-[(3-ethylpiperidin-3-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 64575449
[4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-propylpiperidin-4-yl]methanamine
CID 64575519

Frequently Asked Questions

What is the IUPAC name of 1-[8-(4-fluoro-1-methylpiperidin-2-yl)-7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-5-yl]-N,2-dimethyl-3-pyrrolidin-1-ylpropan-2-amine?
The IUPAC name of 1-[8-(4-fluoro-1-methylpiperidin-2-yl)-7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-5-yl]-N,2-dimethyl-3-pyrrolidin-1-ylpropan-2-amine (CID 123574046) is 1-[8-(4-fluoro-1-methylpiperidin-2-yl)-7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-5-yl]-N,2-dimethyl-3-pyrrolidin-1-ylpropan-2-amine.
What is the SMILES notation for 1-[8-(4-fluoro-1-methylpiperidin-2-yl)-7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-5-yl]-N,2-dimethyl-3-pyrrolidin-1-ylpropan-2-amine?
The canonical SMILES for 1-[8-(4-fluoro-1-methylpiperidin-2-yl)-7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-5-yl]-N,2-dimethyl-3-pyrrolidin-1-ylpropan-2-amine is CNC(C)(CC1CN(C)C(C2CC(F)CCN2C)c2nncn21)CN1CCCC1.
What is the InChIKey of 1-[8-(4-fluoro-1-methylpiperidin-2-yl)-7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-5-yl]-N,2-dimethyl-3-pyrrolidin-1-ylpropan-2-amine?
The InChIKey is XYFRHFYELXLWLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38FN7/c1-21(23-2,14-28-8-5-6-9-28)12-17-13-27(4)19(20-25-24-15-29(17)20)18-11-16(22)7-10-26(18)3/h15-19,23H,5-14H2,1-4H3.
What are the key properties of 1-[8-(4-fluoro-1-methylpiperidin-2-yl)-7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-5-yl]-N,2-dimethyl-3-pyrrolidin-1-ylpropan-2-amine?
1-[8-(4-fluoro-1-methylpiperidin-2-yl)-7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-5-yl]-N,2-dimethyl-3-pyrrolidin-1-ylpropan-2-amine has a molecular weight of 407.58 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-(4-fluoro-1-methylpiperidin-2-yl)-7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-5-yl]-N,2-dimethyl-3-pyrrolidin-1-ylpropan-2-amine is sourced from PubChem (CID 123574046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).