N-[[1-(2-ethylphenyl)triazol-4-yl]methyl]propan-2-amine

C14H20N4 — CID 66206254

IUPACN-[[1-(2-ethylphenyl)triazol-4-yl]methyl]propan-2-amine
SMILESCCc1ccccc1-n1cc(CNC(C)C)nn1
InChIInChI=1S/C14H20N4/c1-4-12-7-5-6-8-14(12)18-10-13(16-17-18)9-15-11(2)3/h5-8,10-11,15H,4,9H2,1-3H3
InChIKeyGCDXQOHGNXHEOV-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.33
Rot. Bonds5

About N-[[1-(2-ethylphenyl)triazol-4-yl]methyl]propan-2-amine

N-[[1-(2-ethylphenyl)triazol-4-yl]methyl]propan-2-amine (PubChem CID 66206254) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is N-[[1-(2-ethylphenyl)triazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(2-ethylphenyl)triazol-4-yl]methyl]propan-2-amine
PubChem CID66206254
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC NameN-[[1-(2-ethylphenyl)triazol-4-yl]methyl]propan-2-amine
SMILESCCc1ccccc1-n1cc(CNC(C)C)nn1
InChIInChI=1S/C14H20N4/c1-4-12-7-5-6-8-14(12)18-10-13(16-17-18)9-15-11(2)3/h5-8,10-11,15H,4,9H2,1-3H3
InChIKeyGCDXQOHGNXHEOV-UHFFFAOYSA-N
XLogP2.33
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-ethylphenyl)triazol-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(2-ethylphenyl)triazol-4-yl]methyl]propan-2-amine (CID 66206254) is N-[[1-(2-ethylphenyl)triazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(2-ethylphenyl)triazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(2-ethylphenyl)triazol-4-yl]methyl]propan-2-amine is CCc1ccccc1-n1cc(CNC(C)C)nn1.
What is the InChIKey of N-[[1-(2-ethylphenyl)triazol-4-yl]methyl]propan-2-amine?
The InChIKey is GCDXQOHGNXHEOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-4-12-7-5-6-8-14(12)18-10-13(16-17-18)9-15-11(2)3/h5-8,10-11,15H,4,9H2,1-3H3.
What are the key properties of N-[[1-(2-ethylphenyl)triazol-4-yl]methyl]propan-2-amine?
N-[[1-(2-ethylphenyl)triazol-4-yl]methyl]propan-2-amine has a molecular weight of 244.34 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-ethylphenyl)triazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 66206254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).