N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-N-methylaniline

C12H17N5 — CID 55069972

IUPACN-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-N-methylaniline
SMILESCN(CCn1cc(CN)nn1)c1ccccc1
InChIInChI=1S/C12H17N5/c1-16(12-5-3-2-4-6-12)7-8-17-10-11(9-13)14-15-17/h2-6,10H,7-9,13H2,1H3
InChIKeyMXRXMDTZSRQZAR-UHFFFAOYSA-N
MW231.30 g/mol
LogP0.87
Rot. Bonds5

About N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-N-methylaniline

N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-N-methylaniline (PubChem CID 55069972) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-N-methylaniline.

Molecular Properties

Compound NameN-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-N-methylaniline
PubChem CID55069972
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC NameN-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-N-methylaniline
SMILESCN(CCn1cc(CN)nn1)c1ccccc1
InChIInChI=1S/C12H17N5/c1-16(12-5-3-2-4-6-12)7-8-17-10-11(9-13)14-15-17/h2-6,10H,7-9,13H2,1H3
InChIKeyMXRXMDTZSRQZAR-UHFFFAOYSA-N
XLogP0.87
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]aniline
CID 55069971
N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-2-methoxy-N-methylaniline
CID 62429506
[1-[2-(N,4-dimethylanilino)ethyl]triazol-4-yl]methanol
CID 134375658
N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-N-methylcyclopentanamine
CID 62419091
N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-N-methylpentan-3-amine
CID 62433554
N,4-dimethyl-N-[2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]ethyl]aniline
CID 62431050
2-[4-(aminomethyl)triazol-1-yl]-N-ethyl-N-phenylacetamide
CID 62055304
[1-(2-phenylmethoxyethyl)triazol-4-yl]methanamine
CID 62444449
[1-(2-fluoroethyl)triazol-4-yl]methanamine
CID 80694161
N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-N-propan-2-ylpropan-1-amine
CID 62420882
1-[2-(4-hydroxy-N-methylanilino)ethyl]triazole-4-carboxylic acid
CID 62254735
2-[1-[2-(diethylamino)ethyl]triazol-4-yl]ethanamine
CID 116642052

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-N-methylaniline?
The IUPAC name of N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-N-methylaniline (CID 55069972) is N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-N-methylaniline.
What is the SMILES notation for N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-N-methylaniline?
The canonical SMILES for N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-N-methylaniline is CN(CCn1cc(CN)nn1)c1ccccc1.
What is the InChIKey of N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-N-methylaniline?
The InChIKey is MXRXMDTZSRQZAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-16(12-5-3-2-4-6-12)7-8-17-10-11(9-13)14-15-17/h2-6,10H,7-9,13H2,1H3.
What are the key properties of N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-N-methylaniline?
N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-N-methylaniline has a molecular weight of 231.30 g/mol, XLogP of 0.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-N-methylaniline is sourced from PubChem (CID 55069972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).