2-N-[(4-chlorophenyl)methyl]-1-N-ethyl-3-(4-phenyltriazol-1-yl)propane-1,2-diamine

C20H24ClN5 — CID 162644267

IUPAC2-N-[(4-chlorophenyl)methyl]-1-N-ethyl-3-(4-phenyltriazol-1-yl)propane-1,2-diamine
SMILESCCNCC(Cn1cc(-c2ccccc2)nn1)NCc1ccc(Cl)cc1
InChIInChI=1S/C20H24ClN5/c1-2-22-13-19(23-12-16-8-10-18(21)11-9-16)14-26-15-20(24-25-26)17-6-4-3-5-7-17/h3-11,15,19,22-23H,2,12-14H2,1H3
InChIKeyRMAMACSVTYXAQB-UHFFFAOYSA-N
MW369.90 g/mol
LogP3.37
Rot. Bonds9

About 2-N-[(4-chlorophenyl)methyl]-1-N-ethyl-3-(4-phenyltriazol-1-yl)propane-1,2-diamine

2-N-[(4-chlorophenyl)methyl]-1-N-ethyl-3-(4-phenyltriazol-1-yl)propane-1,2-diamine (PubChem CID 162644267) has the molecular formula C20H24ClN5 and a molecular weight of 369.90 g/mol. Its IUPAC name is 2-N-[(4-chlorophenyl)methyl]-1-N-ethyl-3-(4-phenyltriazol-1-yl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-[(4-chlorophenyl)methyl]-1-N-ethyl-3-(4-phenyltriazol-1-yl)propane-1,2-diamine
PubChem CID162644267
Molecular FormulaC20H24ClN5
Molecular Weight369.90 g/mol
Exact Mass369.17
IUPAC Name2-N-[(4-chlorophenyl)methyl]-1-N-ethyl-3-(4-phenyltriazol-1-yl)propane-1,2-diamine
SMILESCCNCC(Cn1cc(-c2ccccc2)nn1)NCc1ccc(Cl)cc1
InChIInChI=1S/C20H24ClN5/c1-2-22-13-19(23-12-16-8-10-18(21)11-9-16)14-26-15-20(24-25-26)17-6-4-3-5-7-17/h3-11,15,19,22-23H,2,12-14H2,1H3
InChIKeyRMAMACSVTYXAQB-UHFFFAOYSA-N
XLogP3.37
TPSA54.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.90
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-benzyltriazol-4-yl)methyl]aniline
CID 16745947
1-Benzyl-4-(4-phenyl-[1,2,3]triazol-1-yl)-piperidine
CID 21219160
(3R)-3-[4-(4-chlorophenyl)triazol-1-yl]-1-azabicyclo[2.2.2]octane
CID 89943578
1,5-bis(4-chlorophenyl)-1H-1,2,3-triazole
CID 44572111
4-[5-(4-Chlorophenyl)triazol-1-yl]aniline
CID 3683814
2-(1-(3-Chlorophenyl)-1H-1,2,3-triazol-4-yl)-N-(pyridin-4-ylmethyl)benzenamine
CID 44157074
2-(1-(4-chlorophenyl)-1H-1,2,3-triazol-4-yl)-N-(pyridin-4-ylmethyl)aniline
CID 44565142
(1R,2S,3S,5S)-2-(1-benzyltriazol-4-yl)-3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane;hydrochloride
CID 44576891
N-[[3-(4-chlorophenyl)-1-(2,4-difluorophenyl)pyrazol-4-yl]methyl]-2-(4-methylpiperazin-1-yl)ethanamine
CID 72546285
4-[1-[(2S)-2-anilinopropyl]pyrazol-3-yl]-2-chlorobenzonitrile
CID 155536822
3-[5-(4-Chlorophenyl)triazol-1-yl]aniline
CID 2360931
2-(1-(3-chlorophenyl)-1H-1,2,3-triazol-4-yl)-N-(pyridin-3-ylmethyl)aniline
CID 44565090

Frequently Asked Questions

What is the IUPAC name of 2-N-[(4-chlorophenyl)methyl]-1-N-ethyl-3-(4-phenyltriazol-1-yl)propane-1,2-diamine?
The IUPAC name of 2-N-[(4-chlorophenyl)methyl]-1-N-ethyl-3-(4-phenyltriazol-1-yl)propane-1,2-diamine (CID 162644267) is 2-N-[(4-chlorophenyl)methyl]-1-N-ethyl-3-(4-phenyltriazol-1-yl)propane-1,2-diamine.
What is the SMILES notation for 2-N-[(4-chlorophenyl)methyl]-1-N-ethyl-3-(4-phenyltriazol-1-yl)propane-1,2-diamine?
The canonical SMILES for 2-N-[(4-chlorophenyl)methyl]-1-N-ethyl-3-(4-phenyltriazol-1-yl)propane-1,2-diamine is CCNCC(Cn1cc(-c2ccccc2)nn1)NCc1ccc(Cl)cc1.
What is the InChIKey of 2-N-[(4-chlorophenyl)methyl]-1-N-ethyl-3-(4-phenyltriazol-1-yl)propane-1,2-diamine?
The InChIKey is RMAMACSVTYXAQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN5/c1-2-22-13-19(23-12-16-8-10-18(21)11-9-16)14-26-15-20(24-25-26)17-6-4-3-5-7-17/h3-11,15,19,22-23H,2,12-14H2,1H3.
What are the key properties of 2-N-[(4-chlorophenyl)methyl]-1-N-ethyl-3-(4-phenyltriazol-1-yl)propane-1,2-diamine?
2-N-[(4-chlorophenyl)methyl]-1-N-ethyl-3-(4-phenyltriazol-1-yl)propane-1,2-diamine has a molecular weight of 369.90 g/mol, XLogP of 3.37, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(4-chlorophenyl)methyl]-1-N-ethyl-3-(4-phenyltriazol-1-yl)propane-1,2-diamine is sourced from PubChem (CID 162644267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).