N-ethyl-2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)propan-1-amine

C14H20N4 — CID 55123206

IUPACN-ethyl-2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)propan-1-amine
SMILESCCNCC(C)c1nc(-c2ccccc2)nn1C
InChIInChI=1S/C14H20N4/c1-4-15-10-11(2)14-16-13(17-18(14)3)12-8-6-5-7-9-12/h5-9,11,15H,4,10H2,1-3H3
InChIKeyOLBYJZPVPLNBBU-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.20
Rot. Bonds5

About N-ethyl-2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)propan-1-amine

N-ethyl-2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)propan-1-amine (PubChem CID 55123206) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is N-ethyl-2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)propan-1-amine
PubChem CID55123206
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC NameN-ethyl-2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)propan-1-amine
SMILESCCNCC(C)c1nc(-c2ccccc2)nn1C
InChIInChI=1S/C14H20N4/c1-4-15-10-11(2)14-16-13(17-18(14)3)12-8-6-5-7-9-12/h5-9,11,15H,4,10H2,1-3H3
InChIKeyOLBYJZPVPLNBBU-UHFFFAOYSA-N
XLogP2.20
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 ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)propan-1-amine?
The IUPAC name of N-ethyl-2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)propan-1-amine (CID 55123206) is N-ethyl-2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)propan-1-amine.
What is the SMILES notation for N-ethyl-2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)propan-1-amine?
The canonical SMILES for N-ethyl-2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)propan-1-amine is CCNCC(C)c1nc(-c2ccccc2)nn1C.
What is the InChIKey of N-ethyl-2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)propan-1-amine?
The InChIKey is OLBYJZPVPLNBBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-4-15-10-11(2)14-16-13(17-18(14)3)12-8-6-5-7-9-12/h5-9,11,15H,4,10H2,1-3H3.
What are the key properties of N-ethyl-2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)propan-1-amine?
N-ethyl-2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)propan-1-amine has a molecular weight of 244.34 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)propan-1-amine is sourced from PubChem (CID 55123206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).