2-(4-phenyltriazol-1-yl)-N,N-bis[2-(4-phenyltriazol-1-yl)ethyl]ethanamine

C30H30N10 — CID 90724121

IUPAC2-(4-phenyltriazol-1-yl)-N,N-bis[2-(4-phenyltriazol-1-yl)ethyl]ethanamine
SMILESc1ccc(-c2cn(CCN(CCn3cc(-c4ccccc4)nn3)CCn3cc(-c4ccccc4)nn3)nn2)cc1
InChIInChI=1S/C30H30N10/c1-4-10-25(11-5-1)28-22-38(34-31-28)19-16-37(17-20-39-23-29(32-35-39)26-12-6-2-7-13-26)18-21-40-24-30(33-36-40)27-14-8-3-9-15-27/h1-15,22-24H,16-21H2
InChIKeyARGUBXWOSJEWPX-UHFFFAOYSA-N
MW530.64 g/mol
LogP4.16
Rot. Bonds12

About 2-(4-phenyltriazol-1-yl)-N,N-bis[2-(4-phenyltriazol-1-yl)ethyl]ethanamine

2-(4-phenyltriazol-1-yl)-N,N-bis[2-(4-phenyltriazol-1-yl)ethyl]ethanamine (PubChem CID 90724121) has the molecular formula C30H30N10 and a molecular weight of 530.64 g/mol. Its IUPAC name is 2-(4-phenyltriazol-1-yl)-N,N-bis[2-(4-phenyltriazol-1-yl)ethyl]ethanamine.

Molecular Properties

Compound Name2-(4-phenyltriazol-1-yl)-N,N-bis[2-(4-phenyltriazol-1-yl)ethyl]ethanamine
PubChem CID90724121
Molecular FormulaC30H30N10
Molecular Weight530.64 g/mol
Exact Mass530.27
IUPAC Name2-(4-phenyltriazol-1-yl)-N,N-bis[2-(4-phenyltriazol-1-yl)ethyl]ethanamine
SMILESc1ccc(-c2cn(CCN(CCn3cc(-c4ccccc4)nn3)CCn3cc(-c4ccccc4)nn3)nn2)cc1
InChIInChI=1S/C30H30N10/c1-4-10-25(11-5-1)28-22-38(34-31-28)19-16-37(17-20-39-23-29(32-35-39)26-12-6-2-7-13-26)18-21-40-24-30(33-36-40)27-14-8-3-9-15-27/h1-15,22-24H,16-21H2
InChIKeyARGUBXWOSJEWPX-UHFFFAOYSA-N
XLogP4.16
TPSA95.37 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.64
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Related Compounds

4-(4-Methylphenyl)-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]triazole
CID 152221091
1-(4-Methylbenzyl)-4-phenyl-1 h-1,2,3-triazole
CID 14612069
1-Benzyl-4-(4-phenyl-[1,2,3]triazol-1-yl)-piperidine
CID 21219160
3-[1-[6-[4-(2-Phenylphenyl)triazol-1-yl]hexyl]triazol-4-yl]pyridine
CID 86306022
3-[1-[7-[4-(2-Phenylphenyl)triazol-1-yl]heptyl]triazol-4-yl]pyridine
CID 86306023
3-[1-[8-[4-(2-Phenylphenyl)triazol-1-yl]octyl]triazol-4-yl]pyridine
CID 86306024
1-[[4-(1-Methylpyrazol-4-yl)phenyl]methyl]-4-phenyltriazole
CID 151105657
4-(3-Methylphenyl)-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]triazole
CID 152015157
1-Benzyl-4-phenyl-1,2,3-triazole
CID 11310894
1-(Cyclohexylmethyl)-4-phenyltriazole
CID 24793749
N-[4-[4-(4-Biphenyl)triazol-1-yl]butyl]-N-propyl-N-[4-(2-phenylethynyl)cyclohex-3-en-1-yl]amine
CID 25139329
4-phenyl-1-[(1-phenyl-1H-1,2,3-triazol-4-yl)methyl]-1,2,3,6-tetrahydropyridine
CID 44412458

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenyltriazol-1-yl)-N,N-bis[2-(4-phenyltriazol-1-yl)ethyl]ethanamine?
The IUPAC name of 2-(4-phenyltriazol-1-yl)-N,N-bis[2-(4-phenyltriazol-1-yl)ethyl]ethanamine (CID 90724121) is 2-(4-phenyltriazol-1-yl)-N,N-bis[2-(4-phenyltriazol-1-yl)ethyl]ethanamine.
What is the SMILES notation for 2-(4-phenyltriazol-1-yl)-N,N-bis[2-(4-phenyltriazol-1-yl)ethyl]ethanamine?
The canonical SMILES for 2-(4-phenyltriazol-1-yl)-N,N-bis[2-(4-phenyltriazol-1-yl)ethyl]ethanamine is c1ccc(-c2cn(CCN(CCn3cc(-c4ccccc4)nn3)CCn3cc(-c4ccccc4)nn3)nn2)cc1.
What is the InChIKey of 2-(4-phenyltriazol-1-yl)-N,N-bis[2-(4-phenyltriazol-1-yl)ethyl]ethanamine?
The InChIKey is ARGUBXWOSJEWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N10/c1-4-10-25(11-5-1)28-22-38(34-31-28)19-16-37(17-20-39-23-29(32-35-39)26-12-6-2-7-13-26)18-21-40-24-30(33-36-40)27-14-8-3-9-15-27/h1-15,22-24H,16-21H2.
What are the key properties of 2-(4-phenyltriazol-1-yl)-N,N-bis[2-(4-phenyltriazol-1-yl)ethyl]ethanamine?
2-(4-phenyltriazol-1-yl)-N,N-bis[2-(4-phenyltriazol-1-yl)ethyl]ethanamine has a molecular weight of 530.64 g/mol, XLogP of 4.16, 12 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenyltriazol-1-yl)-N,N-bis[2-(4-phenyltriazol-1-yl)ethyl]ethanamine is sourced from PubChem (CID 90724121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).