6-benzyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C20H26N6 — CID 3810376

IUPAC6-benzyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCN1CCCC1CNc1c(Cc2ccccc2)c(C)nc2ncnn12
InChIInChI=1S/C20H26N6/c1-3-25-11-7-10-17(25)13-21-19-18(12-16-8-5-4-6-9-16)15(2)24-20-22-14-23-26(19)20/h4-6,8-9,14,17,21H,3,7,10-13H2,1-2H3
InChIKeyVANRLFXLHRNYDE-UHFFFAOYSA-N
MW350.47 g/mol
LogP2.92
Rot. Bonds6

About 6-benzyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

6-benzyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 3810376) has the molecular formula C20H26N6 and a molecular weight of 350.47 g/mol. Its IUPAC name is 6-benzyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name6-benzyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID3810376
Molecular FormulaC20H26N6
Molecular Weight350.47 g/mol
Exact Mass350.22
IUPAC Name6-benzyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCN1CCCC1CNc1c(Cc2ccccc2)c(C)nc2ncnn12
InChIInChI=1S/C20H26N6/c1-3-25-11-7-10-17(25)13-21-19-18(12-16-8-5-4-6-9-16)15(2)24-20-22-14-23-26(19)20/h4-6,8-9,14,17,21H,3,7,10-13H2,1-2H3
InChIKeyVANRLFXLHRNYDE-UHFFFAOYSA-N
XLogP2.92
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-benzyl-N-[(3,5-dimethoxyphenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 83286308
6-benzyl-7-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 92762020
N-benzyl-1-(1-ethylpyrrolidin-2-yl)methanamine;oxalic acid
CID 17053062
4-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80777082
N-[(1-benzylpiperidin-2-yl)methyl]-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133274816
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methyl-6-phenylpyrimidin-4-amine
CID 143955101
2-[4-(6-benzyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]ethanol
CID 6472403
N-[(1-ethylpyrrolidin-2-yl)methyl]-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 122193826
5-benzyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-phenyl-1,2,4-triazole-3-carboxamide
CID 42692846
1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine;2-methylbenzaldehyde
CID 143796965
5-[(1-ethylpyrrolidin-2-yl)methylamino]furan-2-carboxylic acid
CID 55050376
N-benzyl-5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 103076180

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 6-benzyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 3810376) is 6-benzyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 6-benzyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 6-benzyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is CCN1CCCC1CNc1c(Cc2ccccc2)c(C)nc2ncnn12.
What is the InChIKey of 6-benzyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is VANRLFXLHRNYDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6/c1-3-25-11-7-10-17(25)13-21-19-18(12-16-8-5-4-6-9-16)15(2)24-20-22-14-23-26(19)20/h4-6,8-9,14,17,21H,3,7,10-13H2,1-2H3.
What are the key properties of 6-benzyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
6-benzyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 350.47 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 3810376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).