1-N-ethyl-1-N-[(2-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]propane-1,2-diamine

C15H23N5 — CID 166312810

IUPAC1-N-ethyl-1-N-[(2-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]propane-1,2-diamine
SMILESCCN(Cc1nc(-c2ccccc2)nn1C)CC(C)N
InChIInChI=1S/C15H23N5/c1-4-20(10-12(2)16)11-14-17-15(18-19(14)3)13-8-6-5-7-9-13/h5-9,12H,4,10-11,16H2,1-3H3
InChIKeyZSURKAWAMBABOR-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.65
Rot. Bonds6

About 1-N-ethyl-1-N-[(2-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]propane-1,2-diamine

1-N-ethyl-1-N-[(2-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]propane-1,2-diamine (PubChem CID 166312810) has the molecular formula C15H23N5 and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-N-ethyl-1-N-[(2-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]propane-1,2-diamine.

Molecular Properties

Compound Name1-N-ethyl-1-N-[(2-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]propane-1,2-diamine
PubChem CID166312810
Molecular FormulaC15H23N5
Molecular Weight273.38 g/mol
Exact Mass273.20
IUPAC Name1-N-ethyl-1-N-[(2-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]propane-1,2-diamine
SMILESCCN(Cc1nc(-c2ccccc2)nn1C)CC(C)N
InChIInChI=1S/C15H23N5/c1-4-20(10-12(2)16)11-14-17-15(18-19(14)3)13-8-6-5-7-9-13/h5-9,12H,4,10-11,16H2,1-3H3
InChIKeyZSURKAWAMBABOR-UHFFFAOYSA-N
XLogP1.65
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Triamiphos
CID 13943
4-Benzyl-5-phenyl-1,2,4-triazol-3-amine
CID 15563296
N-[[5-(4-tert-butylphenyl)-1-methyl-1,2,4-triazol-3-yl]methyl]-1-cyclopropyl-N-methylmethanamine
CID 154929734
Mls003115328
CID 318161
1-methyl-3-phenyl-1H-1,2,4-triazol-5-amine
CID 12581307
1-Benzyl-3,5-diphenyl-1,2,4-triazole
CID 856237
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)aniline
CID 9903932
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(2,5-dimethyl-1,2,4-triazol-3-yl)aniline
CID 22493225
5-(4-Cyclopropylphenyl)-1-methyl-3-(pyrrolidin-1-ylmethyl)-1,2,4-triazole
CID 152658541
1-[[5-(4-Tert-butylphenyl)-1-methyl-1,2,4-triazol-3-yl]methyl]piperidine
CID 154929621
1-Methyl-3-(pyrrolidin-1-ylmethyl)-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazole
CID 154929638
5-(4-Cyclohexylphenyl)-1-methyl-3-(pyrrolidin-1-ylmethyl)-1,2,4-triazole
CID 154929720

Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-1-N-[(2-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]propane-1,2-diamine?
The IUPAC name of 1-N-ethyl-1-N-[(2-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]propane-1,2-diamine (CID 166312810) is 1-N-ethyl-1-N-[(2-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]propane-1,2-diamine.
What is the SMILES notation for 1-N-ethyl-1-N-[(2-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]propane-1,2-diamine?
The canonical SMILES for 1-N-ethyl-1-N-[(2-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]propane-1,2-diamine is CCN(Cc1nc(-c2ccccc2)nn1C)CC(C)N.
What is the InChIKey of 1-N-ethyl-1-N-[(2-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]propane-1,2-diamine?
The InChIKey is ZSURKAWAMBABOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5/c1-4-20(10-12(2)16)11-14-17-15(18-19(14)3)13-8-6-5-7-9-13/h5-9,12H,4,10-11,16H2,1-3H3.
What are the key properties of 1-N-ethyl-1-N-[(2-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]propane-1,2-diamine?
1-N-ethyl-1-N-[(2-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]propane-1,2-diamine has a molecular weight of 273.38 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-1-N-[(2-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]propane-1,2-diamine is sourced from PubChem (CID 166312810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).