N-methyl-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]aniline

C13H19N5 — CID 55069971

IUPACN-methyl-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]aniline
SMILESCNCc1cn(CCN(C)c2ccccc2)nn1
InChIInChI=1S/C13H19N5/c1-14-10-12-11-18(16-15-12)9-8-17(2)13-6-4-3-5-7-13/h3-7,11,14H,8-10H2,1-2H3
InChIKeyCSEWWBCDDHNHMQ-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.13
Rot. Bonds6

About N-methyl-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]aniline

N-methyl-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]aniline (PubChem CID 55069971) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is N-methyl-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]aniline.

Molecular Properties

Compound NameN-methyl-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]aniline
PubChem CID55069971
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC NameN-methyl-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]aniline
SMILESCNCc1cn(CCN(C)c2ccccc2)nn1
InChIInChI=1S/C13H19N5/c1-14-10-12-11-18(16-15-12)9-8-17(2)13-6-4-3-5-7-13/h3-7,11,14H,8-10H2,1-2H3
InChIKeyCSEWWBCDDHNHMQ-UHFFFAOYSA-N
XLogP1.13
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-N-methylaniline
CID 55069972
2-methoxy-N-methyl-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]aniline
CID 62429146
N,4-dimethyl-N-[2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]ethyl]aniline
CID 62431050
N-ethyl-2-methyl-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]aniline
CID 62424016
N-methyl-2-[4-(methylaminomethyl)triazol-1-yl]-N-(2-methylsulfanylethyl)ethanamine
CID 112665539
N-methyl-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]pentan-2-amine
CID 62433817
N-methyl-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]-2-pyridin-4-ylethanamine
CID 62427263
N,2-dimethyl-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]cyclohexan-1-amine
CID 62462234
[1-[2-(N,4-dimethylanilino)ethyl]triazol-4-yl]methanol
CID 134375658
N-methyl-2-[4-(methylaminomethyl)triazol-1-yl]-N-(2-methylsulfonylethyl)ethanamine
CID 79859325
N-[2-[4-(ethylaminomethyl)triazol-1-yl]ethyl]-N,2-dimethylaniline
CID 62436489
N-ethyl-N-[2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]ethyl]aniline
CID 62423786

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]aniline?
The IUPAC name of N-methyl-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]aniline (CID 55069971) is N-methyl-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]aniline.
What is the SMILES notation for N-methyl-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]aniline?
The canonical SMILES for N-methyl-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]aniline is CNCc1cn(CCN(C)c2ccccc2)nn1.
What is the InChIKey of N-methyl-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]aniline?
The InChIKey is CSEWWBCDDHNHMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-14-10-12-11-18(16-15-12)9-8-17(2)13-6-4-3-5-7-13/h3-7,11,14H,8-10H2,1-2H3.
What are the key properties of N-methyl-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]aniline?
N-methyl-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]aniline has a molecular weight of 245.33 g/mol, XLogP of 1.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]aniline is sourced from PubChem (CID 55069971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).