1-N,2-N,2-N,2-tetramethyl-1-(3-phenyltriazol-4-yl)propane-1,2-diamine

C15H23N5 — CID 114688285

IUPAC1-N,2-N,2-N,2-tetramethyl-1-(3-phenyltriazol-4-yl)propane-1,2-diamine
SMILESCNC(c1cnnn1-c1ccccc1)C(C)(C)N(C)C
InChIInChI=1S/C15H23N5/c1-15(2,19(4)5)14(16-3)13-11-17-18-20(13)12-9-7-6-8-10-12/h6-11,14,16H,1-5H3
InChIKeyVYKXILCBKPSFSW-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.87
Rot. Bonds5

About 1-N,2-N,2-N,2-tetramethyl-1-(3-phenyltriazol-4-yl)propane-1,2-diamine

1-N,2-N,2-N,2-tetramethyl-1-(3-phenyltriazol-4-yl)propane-1,2-diamine (PubChem CID 114688285) has the molecular formula C15H23N5 and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-N,2-N,2-N,2-tetramethyl-1-(3-phenyltriazol-4-yl)propane-1,2-diamine.

Molecular Properties

Compound Name1-N,2-N,2-N,2-tetramethyl-1-(3-phenyltriazol-4-yl)propane-1,2-diamine
PubChem CID114688285
Molecular FormulaC15H23N5
Molecular Weight273.38 g/mol
Exact Mass273.20
IUPAC Name1-N,2-N,2-N,2-tetramethyl-1-(3-phenyltriazol-4-yl)propane-1,2-diamine
SMILESCNC(c1cnnn1-c1ccccc1)C(C)(C)N(C)C
InChIInChI=1S/C15H23N5/c1-15(2,19(4)5)14(16-3)13-11-17-18-20(13)12-9-7-6-8-10-12/h6-11,14,16H,1-5H3
InChIKeyVYKXILCBKPSFSW-UHFFFAOYSA-N
XLogP1.87
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,2,2-trifluoro-N-methyl-1-(3-phenyltriazol-4-yl)ethanamine
CID 105043304
2-(dimethylamino)-2-methyl-1-(3-phenyltriazol-4-yl)propan-1-ol
CID 114686558
1-N,2-N,2-N,2-tetramethyl-1-(2-phenylpyrazol-3-yl)propane-1,2-diamine
CID 107330721
1-N,2-N,2-N,2-tetramethyl-1-phenylpropane-1,2-diamine
CID 79053709
2,2-difluoro-N-methyl-1-(3-phenyltriazol-4-yl)ethanamine
CID 103517148
N-methyl-1-(6-methyl-2-pyridinyl)-1-(3-phenyltriazol-4-yl)methanamine
CID 114687713
[2-ethoxy-2-methyl-1-(3-phenyltriazol-4-yl)butyl]hydrazine
CID 105274950
1-(furan-2-yl)-N-methyl-1-(3-phenyltriazol-4-yl)methanamine
CID 114687548
N-methyl-1-(3-phenyltriazol-4-yl)-3-propoxypropan-1-amine
CID 105184360
N-ethyl-3,3-dimethyl-1-(3-phenyltriazol-4-yl)butan-1-amine
CID 114687752
N-methyl-1-(3-phenyltriazol-4-yl)-2-pyridin-4-ylethanamine
CID 114687507
1-[3-(4-chlorophenyl)triazol-4-yl]-N-methylethanamine
CID 117167372

Frequently Asked Questions

What is the IUPAC name of 1-N,2-N,2-N,2-tetramethyl-1-(3-phenyltriazol-4-yl)propane-1,2-diamine?
The IUPAC name of 1-N,2-N,2-N,2-tetramethyl-1-(3-phenyltriazol-4-yl)propane-1,2-diamine (CID 114688285) is 1-N,2-N,2-N,2-tetramethyl-1-(3-phenyltriazol-4-yl)propane-1,2-diamine.
What is the SMILES notation for 1-N,2-N,2-N,2-tetramethyl-1-(3-phenyltriazol-4-yl)propane-1,2-diamine?
The canonical SMILES for 1-N,2-N,2-N,2-tetramethyl-1-(3-phenyltriazol-4-yl)propane-1,2-diamine is CNC(c1cnnn1-c1ccccc1)C(C)(C)N(C)C.
What is the InChIKey of 1-N,2-N,2-N,2-tetramethyl-1-(3-phenyltriazol-4-yl)propane-1,2-diamine?
The InChIKey is VYKXILCBKPSFSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5/c1-15(2,19(4)5)14(16-3)13-11-17-18-20(13)12-9-7-6-8-10-12/h6-11,14,16H,1-5H3.
What are the key properties of 1-N,2-N,2-N,2-tetramethyl-1-(3-phenyltriazol-4-yl)propane-1,2-diamine?
1-N,2-N,2-N,2-tetramethyl-1-(3-phenyltriazol-4-yl)propane-1,2-diamine has a molecular weight of 273.38 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N,2-N,2-tetramethyl-1-(3-phenyltriazol-4-yl)propane-1,2-diamine is sourced from PubChem (CID 114688285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).