1-[1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]triazol-4-yl]-N-methylmethanamine

C11H18N6 — CID 62447011

IUPAC1-[1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]triazol-4-yl]-N-methylmethanamine
SMILESCNCc1cn(CCn2nc(C)cc2C)nn1
InChIInChI=1S/C11H18N6/c1-9-6-10(2)17(14-9)5-4-16-8-11(7-12-3)13-15-16/h6,8,12H,4-5,7H2,1-3H3
InChIKeyYCQAFBCOOWIZPR-UHFFFAOYSA-N
MW234.31 g/mol
LogP0.51
Rot. Bonds5

About 1-[1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]triazol-4-yl]-N-methylmethanamine

1-[1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]triazol-4-yl]-N-methylmethanamine (PubChem CID 62447011) has the molecular formula C11H18N6 and a molecular weight of 234.31 g/mol. Its IUPAC name is 1-[1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]triazol-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]triazol-4-yl]-N-methylmethanamine
PubChem CID62447011
Molecular FormulaC11H18N6
Molecular Weight234.31 g/mol
Exact Mass234.16
IUPAC Name1-[1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]triazol-4-yl]-N-methylmethanamine
SMILESCNCc1cn(CCn2nc(C)cc2C)nn1
InChIInChI=1S/C11H18N6/c1-9-6-10(2)17(14-9)5-4-16-8-11(7-12-3)13-15-16/h6,8,12H,4-5,7H2,1-3H3
InChIKeyYCQAFBCOOWIZPR-UHFFFAOYSA-N
XLogP0.51
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.31
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-1-[1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]methanamine
CID 62438466
2-[4-[[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]methyl]triazol-1-yl]acetic acid
CID 115457511
N-methyl-1-[1-(4,4,4-trifluorobutyl)triazol-4-yl]methanamine
CID 115519644
1-[1-[2-(3,5-dimethoxyphenoxy)ethyl]triazol-4-yl]-N-methylmethanamine
CID 62451375
N-methyl-1-[1-(pyrimidin-2-ylmethyl)triazol-4-yl]methanamine
CID 66214042
N-methyl-2-[4-(methylaminomethyl)triazol-1-yl]-N-(2-methylsulfanylethyl)ethanamine
CID 112665539
N-methyl-1-[1-[2-(4-methylphenoxy)ethyl]triazol-4-yl]methanamine
CID 62450708
2-[2-[4-(methylaminomethyl)triazol-1-yl]ethoxy]ethanol
CID 66215241
N-methyl-1-[1-[2-(trifluoromethoxy)ethyl]triazol-4-yl]methanamine
CID 66192704
N-methyl-1-[1-(3-methylsulfonylpropyl)triazol-4-yl]methanamine
CID 66216457
1,3-dimethyl-6-[[4-(methylaminomethyl)triazol-1-yl]methyl]pyrimidine-2,4-dione
CID 66191724
N-methyl-1-[1-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]triazol-4-yl]methanamine
CID 62967065

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]triazol-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]triazol-4-yl]-N-methylmethanamine (CID 62447011) is 1-[1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]triazol-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]triazol-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]triazol-4-yl]-N-methylmethanamine is CNCc1cn(CCn2nc(C)cc2C)nn1.
What is the InChIKey of 1-[1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]triazol-4-yl]-N-methylmethanamine?
The InChIKey is YCQAFBCOOWIZPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6/c1-9-6-10(2)17(14-9)5-4-16-8-11(7-12-3)13-15-16/h6,8,12H,4-5,7H2,1-3H3.
What are the key properties of 1-[1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]triazol-4-yl]-N-methylmethanamine?
1-[1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]triazol-4-yl]-N-methylmethanamine has a molecular weight of 234.31 g/mol, XLogP of 0.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]triazol-4-yl]-N-methylmethanamine is sourced from PubChem (CID 62447011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).