N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-3-amine

C17H27N7 — CID 71928249

IUPACN-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-3-amine
SMILESCCn1c(C)nnc1CN(C)C1CCN(Cc2cnc(C)cn2)C1
InChIInChI=1S/C17H27N7/c1-5-24-14(3)20-21-17(24)12-22(4)16-6-7-23(11-16)10-15-9-18-13(2)8-19-15/h8-9,16H,5-7,10-12H2,1-4H3
InChIKeyPZASQDDWGRSNJE-UHFFFAOYSA-N
MW329.45 g/mol
LogP1.41
Rot. Bonds6

About N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-3-amine

N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-3-amine (PubChem CID 71928249) has the molecular formula C17H27N7 and a molecular weight of 329.45 g/mol. Its IUPAC name is N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-3-amine
PubChem CID71928249
Molecular FormulaC17H27N7
Molecular Weight329.45 g/mol
Exact Mass329.23
IUPAC NameN-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-3-amine
SMILESCCn1c(C)nnc1CN(C)C1CCN(Cc2cnc(C)cn2)C1
InChIInChI=1S/C17H27N7/c1-5-24-14(3)20-21-17(24)12-22(4)16-6-7-23(11-16)10-15-9-18-13(2)8-19-15/h8-9,16H,5-7,10-12H2,1-4H3
InChIKeyPZASQDDWGRSNJE-UHFFFAOYSA-N
XLogP1.41
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-Methyl-6-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]pyrazine
CID 165415336
N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-3-amine
CID 71928277
N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-3-amine
CID 71928525
2-[[4-[(1-Ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]methyl]-5-methylpyrazine
CID 71932961
N,N,8-trimethyl-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide
CID 118739363
2-methyl-5-[[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]pyrazine
CID 95294862
1-methyl-4-[(2S)-1-[4-(1-propylimidazol-2-yl)triazol-1-yl]propan-2-yl]piperazine
CID 97130706
(8S)-8-methyl-7-[(1-methyltriazol-4-yl)methyl]-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 164636550
(8S)-8-methyl-5-(trifluoromethyl)-3,4,6,9,11-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraene
CID 156847163
5,8-Dimethyl-10-(2,2,2-trifluoroethyl)-3,4,6,9,11-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraene
CID 167296101
3-Pyrazinyl-4,5-dihydro-1,2,4-triazolo[4,3-a]imidazole
CID 129797928
7-[(3-methylimidazol-4-yl)methyl]-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 127428121

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-3-amine?
The IUPAC name of N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-3-amine (CID 71928249) is N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-3-amine?
The canonical SMILES for N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-3-amine is CCn1c(C)nnc1CN(C)C1CCN(Cc2cnc(C)cn2)C1.
What is the InChIKey of N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-3-amine?
The InChIKey is PZASQDDWGRSNJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N7/c1-5-24-14(3)20-21-17(24)12-22(4)16-6-7-23(11-16)10-15-9-18-13(2)8-19-15/h8-9,16H,5-7,10-12H2,1-4H3.
What are the key properties of N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-3-amine?
N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-3-amine has a molecular weight of 329.45 g/mol, XLogP of 1.41, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 71928249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).