2-N,2-N,2-trimethyl-1-N-[(2-phenyltriazol-4-yl)methyl]propane-1,2-diamine

C15H23N5 — CID 28774650

IUPAC2-N,2-N,2-trimethyl-1-N-[(2-phenyltriazol-4-yl)methyl]propane-1,2-diamine
SMILESCN(C)C(C)(C)CNCc1cnn(-c2ccccc2)n1
InChIInChI=1S/C15H23N5/c1-15(2,19(3)4)12-16-10-13-11-17-20(18-13)14-8-6-5-7-9-14/h5-9,11,16H,10,12H2,1-4H3
InChIKeyAYJZEEQWKFWVHK-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.70
Rot. Bonds6

About 2-N,2-N,2-trimethyl-1-N-[(2-phenyltriazol-4-yl)methyl]propane-1,2-diamine

2-N,2-N,2-trimethyl-1-N-[(2-phenyltriazol-4-yl)methyl]propane-1,2-diamine (PubChem CID 28774650) has the molecular formula C15H23N5 and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-N,2-N,2-trimethyl-1-N-[(2-phenyltriazol-4-yl)methyl]propane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N,2-trimethyl-1-N-[(2-phenyltriazol-4-yl)methyl]propane-1,2-diamine
PubChem CID28774650
Molecular FormulaC15H23N5
Molecular Weight273.38 g/mol
Exact Mass273.20
IUPAC Name2-N,2-N,2-trimethyl-1-N-[(2-phenyltriazol-4-yl)methyl]propane-1,2-diamine
SMILESCN(C)C(C)(C)CNCc1cnn(-c2ccccc2)n1
InChIInChI=1S/C15H23N5/c1-15(2,19(3)4)12-16-10-13-11-17-20(18-13)14-8-6-5-7-9-14/h5-9,11,16H,10,12H2,1-4H3
InChIKeyAYJZEEQWKFWVHK-UHFFFAOYSA-N
XLogP1.70
TPSA45.98 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 ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,3-dimethyl-N-[(2-phenyltriazol-4-yl)methyl]butan-1-amine
CID 115600357
N-[(2-phenyltriazol-4-yl)methyl]ethanamine;hydrochloride
CID 71758233
2-ethyl-2-[[(2-phenyltriazol-4-yl)methylamino]methyl]butan-1-ol
CID 103845600
4-methyl-N-[(2-phenyltriazol-4-yl)methyl]pentan-1-amine
CID 54913963
N-methyl-N'-[(2-phenyltriazol-4-yl)methyl]propane-1,3-diamine
CID 113410140
3,3-dimethyl-N-[(2-phenyltriazol-4-yl)methyl]butan-2-amine
CID 115623247
1-[(2-phenyltriazol-4-yl)methylamino]butan-2-ol
CID 113492048
1-(1-methylpyrazol-4-yl)-N-[(2-phenyltriazol-4-yl)methyl]methanamine
CID 61350413
3-cyclopropyl-N-[(2-phenyltriazol-4-yl)methyl]propan-1-amine
CID 115639415
1-(6-methyl-3-pyridinyl)-N-[(2-phenyltriazol-4-yl)methyl]methanamine
CID 62405326
2-(hydroxymethyl)-2-[(2-phenyltriazol-4-yl)methylamino]propane-1,3-diol
CID 107850523
2-bromo-N-[(2-phenyltriazol-4-yl)methyl]aniline
CID 28774592

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,2-trimethyl-1-N-[(2-phenyltriazol-4-yl)methyl]propane-1,2-diamine?
The IUPAC name of 2-N,2-N,2-trimethyl-1-N-[(2-phenyltriazol-4-yl)methyl]propane-1,2-diamine (CID 28774650) is 2-N,2-N,2-trimethyl-1-N-[(2-phenyltriazol-4-yl)methyl]propane-1,2-diamine.
What is the SMILES notation for 2-N,2-N,2-trimethyl-1-N-[(2-phenyltriazol-4-yl)methyl]propane-1,2-diamine?
The canonical SMILES for 2-N,2-N,2-trimethyl-1-N-[(2-phenyltriazol-4-yl)methyl]propane-1,2-diamine is CN(C)C(C)(C)CNCc1cnn(-c2ccccc2)n1.
What is the InChIKey of 2-N,2-N,2-trimethyl-1-N-[(2-phenyltriazol-4-yl)methyl]propane-1,2-diamine?
The InChIKey is AYJZEEQWKFWVHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5/c1-15(2,19(3)4)12-16-10-13-11-17-20(18-13)14-8-6-5-7-9-14/h5-9,11,16H,10,12H2,1-4H3.
What are the key properties of 2-N,2-N,2-trimethyl-1-N-[(2-phenyltriazol-4-yl)methyl]propane-1,2-diamine?
2-N,2-N,2-trimethyl-1-N-[(2-phenyltriazol-4-yl)methyl]propane-1,2-diamine has a molecular weight of 273.38 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,2-trimethyl-1-N-[(2-phenyltriazol-4-yl)methyl]propane-1,2-diamine is sourced from PubChem (CID 28774650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).