N-benzyl-N-methyl-1-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-amine

C18H22N6 — CID 167971004

IUPACN-benzyl-N-methyl-1-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-amine
SMILESCc1nnc2c(N3CCC(N(C)Cc4ccccc4)C3)nccn12
InChIInChI=1S/C18H22N6/c1-14-20-21-18-17(19-9-11-24(14)18)23-10-8-16(13-23)22(2)12-15-6-4-3-5-7-15/h3-7,9,11,16H,8,10,12-13H2,1-2H3
InChIKeyBTRWBGPGUGNCMG-UHFFFAOYSA-N
MW322.42 g/mol
LogP2.14
Rot. Bonds4

About N-benzyl-N-methyl-1-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-amine

N-benzyl-N-methyl-1-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-amine (PubChem CID 167971004) has the molecular formula C18H22N6 and a molecular weight of 322.42 g/mol. Its IUPAC name is N-benzyl-N-methyl-1-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-amine.

Molecular Properties

Compound NameN-benzyl-N-methyl-1-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-amine
PubChem CID167971004
Molecular FormulaC18H22N6
Molecular Weight322.42 g/mol
Exact Mass322.19
IUPAC NameN-benzyl-N-methyl-1-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-amine
SMILESCc1nnc2c(N3CCC(N(C)Cc4ccccc4)C3)nccn12
InChIInChI=1S/C18H22N6/c1-14-20-21-18-17(19-9-11-24(14)18)23-10-8-16(13-23)22(2)12-15-6-4-3-5-7-15/h3-7,9,11,16H,8,10,12-13H2,1-2H3
InChIKeyBTRWBGPGUGNCMG-UHFFFAOYSA-N
XLogP2.14
TPSA49.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.42
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-N-methyl-1-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)azetidin-3-amine
CID 171334628
8-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-methyl-[1,2,4]triazolo[4,3-a]pyrazine
CID 115314782
N-methyl-N-[[1-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperidin-4-yl]methyl]-4-(trifluoromethyl)pyridin-2-amine
CID 146078864
6-cyclopropyl-N-methyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)azetidin-3-yl]pyrimidin-4-amine
CID 171327156
3-[(3R)-3-[benzyl(methyl)amino]pyrrolidin-1-yl]-6-chloropyridazine-4-carboxamide
CID 97220067
N-benzyl-N-methyl-1-(6-phenylpyridazin-3-yl)pyrrolidin-3-amine
CID 46225105
3-methyl-8-[3-(trifluoromethyl)azetidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine
CID 165432242
1-(2,3-dihydroindol-1-yl)-2-[1-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperidin-4-yl]ethanone
CID 171997570
1-(3-ethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]azetidin-3-amine
CID 171327390
N-methyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)azetidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 171327427
N,9-dimethyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)azetidin-3-yl]purin-6-amine
CID 171327443
[1-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)azetidin-3-yl]-pyrrolidin-1-ylmethanone
CID 165435128

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-1-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-amine?
The IUPAC name of N-benzyl-N-methyl-1-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-amine (CID 167971004) is N-benzyl-N-methyl-1-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-amine.
What is the SMILES notation for N-benzyl-N-methyl-1-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-amine?
The canonical SMILES for N-benzyl-N-methyl-1-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-amine is Cc1nnc2c(N3CCC(N(C)Cc4ccccc4)C3)nccn12.
What is the InChIKey of N-benzyl-N-methyl-1-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-amine?
The InChIKey is BTRWBGPGUGNCMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6/c1-14-20-21-18-17(19-9-11-24(14)18)23-10-8-16(13-23)22(2)12-15-6-4-3-5-7-15/h3-7,9,11,16H,8,10,12-13H2,1-2H3.
What are the key properties of N-benzyl-N-methyl-1-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-amine?
N-benzyl-N-methyl-1-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-amine has a molecular weight of 322.42 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-1-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-amine is sourced from PubChem (CID 167971004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).