N-ethyl-N-[2-(2H-triazol-4-yl)propyl]aniline

C13H18N4 — CID 54010973

IUPACN-ethyl-N-[2-(2H-triazol-4-yl)propyl]aniline
SMILESCCN(CC(C)c1cn[nH]n1)c1ccccc1
InChIInChI=1S/C13H18N4/c1-3-17(12-7-5-4-6-8-12)10-11(2)13-9-14-16-15-13/h4-9,11H,3,10H2,1-2H3,(H,14,15,16)
InChIKeyKSHZSDJBRWOANI-UHFFFAOYSA-N
MW230.32 g/mol
LogP2.43
Rot. Bonds5

About N-ethyl-N-[2-(2H-triazol-4-yl)propyl]aniline

N-ethyl-N-[2-(2H-triazol-4-yl)propyl]aniline (PubChem CID 54010973) has the molecular formula C13H18N4 and a molecular weight of 230.32 g/mol. Its IUPAC name is N-ethyl-N-[2-(2H-triazol-4-yl)propyl]aniline.

Molecular Properties

Compound NameN-ethyl-N-[2-(2H-triazol-4-yl)propyl]aniline
PubChem CID54010973
Molecular FormulaC13H18N4
Molecular Weight230.32 g/mol
Exact Mass230.15
IUPAC NameN-ethyl-N-[2-(2H-triazol-4-yl)propyl]aniline
SMILESCCN(CC(C)c1cn[nH]n1)c1ccccc1
InChIInChI=1S/C13H18N4/c1-3-17(12-7-5-4-6-8-12)10-11(2)13-9-14-16-15-13/h4-9,11H,3,10H2,1-2H3,(H,14,15,16)
InChIKeyKSHZSDJBRWOANI-UHFFFAOYSA-N
XLogP2.43
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.32
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-phenyl-1H-1,2,3-triazol-4-yl)methanamine
CID 18526002
4H-1,2,4-Triazolium, 1,4-dimethyl-5-(2-(4-(methyl(phenylmethyl)amino)phenyl)diazenyl)-, chloride (1:1)
CID 6400575
4-(5-Methyl-1H-1,2,3-triazol-1-yl)aniline
CID 13031172
4-ethyl-1-phenyl-1H-1,2,3-triazole
CID 53244246
N-[2-(1-benzyltriazol-4-yl)ethyl]-N-methylprop-2-yn-1-amine
CID 132579937
1-Phenyl-4-vinyl-1H-1,2,3-triazole
CID 53473125
N-[(1H-1,2,3-triazol-5-yl)methyl]aniline
CID 61318525
1H-1,2,3-Triazole, 4-methyl-1-phenyl-
CID 281035
1H-1,2,3-Triazole, 5-methyl-1-phenyl-
CID 555558
N-methyl-2-(2H-triazol-4-yl)aniline
CID 60156096
N-[2-(4-piperidin-3-yl-1H-1,2,3-triazol-1-yl)ethyl]aniline
CID 72878628
2-(1-benzyltriazol-4-yl)-N,N-dimethylethanamine;hydrochloride
CID 137648274

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-(2H-triazol-4-yl)propyl]aniline?
The IUPAC name of N-ethyl-N-[2-(2H-triazol-4-yl)propyl]aniline (CID 54010973) is N-ethyl-N-[2-(2H-triazol-4-yl)propyl]aniline.
What is the SMILES notation for N-ethyl-N-[2-(2H-triazol-4-yl)propyl]aniline?
The canonical SMILES for N-ethyl-N-[2-(2H-triazol-4-yl)propyl]aniline is CCN(CC(C)c1cn[nH]n1)c1ccccc1.
What is the InChIKey of N-ethyl-N-[2-(2H-triazol-4-yl)propyl]aniline?
The InChIKey is KSHZSDJBRWOANI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-3-17(12-7-5-4-6-8-12)10-11(2)13-9-14-16-15-13/h4-9,11H,3,10H2,1-2H3,(H,14,15,16).
What are the key properties of N-ethyl-N-[2-(2H-triazol-4-yl)propyl]aniline?
N-ethyl-N-[2-(2H-triazol-4-yl)propyl]aniline has a molecular weight of 230.32 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-(2H-triazol-4-yl)propyl]aniline is sourced from PubChem (CID 54010973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).