N-ethyl-N-[(1-phenyltriazol-4-yl)methyl]ethanamine

C13H18N4 — CID 101362186

IUPACN-ethyl-N-[(1-phenyltriazol-4-yl)methyl]ethanamine
SMILESCCN(CC)Cc1cn(-c2ccccc2)nn1
InChIInChI=1S/C13H18N4/c1-3-16(4-2)10-12-11-17(15-14-12)13-8-6-5-7-9-13/h5-9,11H,3-4,10H2,1-2H3
InChIKeyINEPDXMZKQSLDL-UHFFFAOYSA-N
MW230.32 g/mol
LogP2.11
Rot. Bonds5

About N-ethyl-N-[(1-phenyltriazol-4-yl)methyl]ethanamine

N-ethyl-N-[(1-phenyltriazol-4-yl)methyl]ethanamine (PubChem CID 101362186) has the molecular formula C13H18N4 and a molecular weight of 230.32 g/mol. Its IUPAC name is N-ethyl-N-[(1-phenyltriazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-N-[(1-phenyltriazol-4-yl)methyl]ethanamine
PubChem CID101362186
Molecular FormulaC13H18N4
Molecular Weight230.32 g/mol
Exact Mass230.15
IUPAC NameN-ethyl-N-[(1-phenyltriazol-4-yl)methyl]ethanamine
SMILESCCN(CC)Cc1cn(-c2ccccc2)nn1
InChIInChI=1S/C13H18N4/c1-3-16(4-2)10-12-11-17(15-14-12)13-8-6-5-7-9-13/h5-9,11H,3-4,10H2,1-2H3
InChIKeyINEPDXMZKQSLDL-UHFFFAOYSA-N
XLogP2.11
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.32
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-phenyltriazol-4-yl)ethanol
CID 62400146
4-butyl-1-phenyltriazole
CID 25191665
(1-phenyltriazol-4-yl)methylazanium chloride
CID 82018236
2-[butan-2-yl-[(1-phenyltriazol-4-yl)methyl]amino]acetic acid;hydrochloride
CID 91646080
3-[4-(diethylaminomethyl)triazol-1-yl]-N-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]aniline
CID 58173089
5-[[methyl-[(1-phenyltriazol-4-yl)methyl]amino]methyl]pyrimidin-2-amine
CID 56886303
3-[4-(diethylaminomethyl)triazol-1-yl]-N-[4-[(E)-2-pyridin-2-ylethenyl]phenyl]aniline;ethane
CID 153391516
1-phenyl-4-prop-2-enyltriazole
CID 70124249
(1R)-2-methoxy-N-methyl-N-[(1-phenyltriazol-4-yl)methyl]-1-pyridin-2-ylethanamine
CID 95710512
(1R)-N-methyl-1-(1,2-oxazol-3-yl)-N-[(1-phenyltriazol-4-yl)methyl]ethanamine
CID 95728045
4-[2-(3,5-dimethylphenyl)ethyl]-1-phenyltriazole
CID 112717224
N,N-diethyl-1-phenyltriazole-4-carboxamide
CID 15048681

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(1-phenyltriazol-4-yl)methyl]ethanamine?
The IUPAC name of N-ethyl-N-[(1-phenyltriazol-4-yl)methyl]ethanamine (CID 101362186) is N-ethyl-N-[(1-phenyltriazol-4-yl)methyl]ethanamine.
What is the SMILES notation for N-ethyl-N-[(1-phenyltriazol-4-yl)methyl]ethanamine?
The canonical SMILES for N-ethyl-N-[(1-phenyltriazol-4-yl)methyl]ethanamine is CCN(CC)Cc1cn(-c2ccccc2)nn1.
What is the InChIKey of N-ethyl-N-[(1-phenyltriazol-4-yl)methyl]ethanamine?
The InChIKey is INEPDXMZKQSLDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-3-16(4-2)10-12-11-17(15-14-12)13-8-6-5-7-9-13/h5-9,11H,3-4,10H2,1-2H3.
What are the key properties of N-ethyl-N-[(1-phenyltriazol-4-yl)methyl]ethanamine?
N-ethyl-N-[(1-phenyltriazol-4-yl)methyl]ethanamine has a molecular weight of 230.32 g/mol, XLogP of 2.11, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(1-phenyltriazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 101362186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).