N-[1-(5-methyl-1-phenyltriazol-4-yl)ethyl]-4-(triazol-2-yl)aniline

C19H19N7 — CID 146087804

IUPACN-[1-(5-methyl-1-phenyltriazol-4-yl)ethyl]-4-(triazol-2-yl)aniline
SMILESCc1c(C(C)Nc2ccc(-n3nccn3)cc2)nnn1-c1ccccc1
InChIInChI=1S/C19H19N7/c1-14(19-15(2)25(24-23-19)17-6-4-3-5-7-17)22-16-8-10-18(11-9-16)26-20-12-13-21-26/h3-14,22H,1-2H3
InChIKeyJODVLAZRCJFOOQ-UHFFFAOYSA-N
MW345.41 g/mol
LogP3.33
Rot. Bonds5

About N-[1-(5-methyl-1-phenyltriazol-4-yl)ethyl]-4-(triazol-2-yl)aniline

N-[1-(5-methyl-1-phenyltriazol-4-yl)ethyl]-4-(triazol-2-yl)aniline (PubChem CID 146087804) has the molecular formula C19H19N7 and a molecular weight of 345.41 g/mol. Its IUPAC name is N-[1-(5-methyl-1-phenyltriazol-4-yl)ethyl]-4-(triazol-2-yl)aniline.

Molecular Properties

Compound NameN-[1-(5-methyl-1-phenyltriazol-4-yl)ethyl]-4-(triazol-2-yl)aniline
PubChem CID146087804
Molecular FormulaC19H19N7
Molecular Weight345.41 g/mol
Exact Mass345.17
IUPAC NameN-[1-(5-methyl-1-phenyltriazol-4-yl)ethyl]-4-(triazol-2-yl)aniline
SMILESCc1c(C(C)Nc2ccc(-n3nccn3)cc2)nnn1-c1ccccc1
InChIInChI=1S/C19H19N7/c1-14(19-15(2)25(24-23-19)17-6-4-3-5-7-17)22-16-8-10-18(11-9-16)26-20-12-13-21-26/h3-14,22H,1-2H3
InChIKeyJODVLAZRCJFOOQ-UHFFFAOYSA-N
XLogP3.33
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methyl-1-phenyltriazol-4-yl)ethyl]-4-(triazol-2-yl)aniline?
The IUPAC name of N-[1-(5-methyl-1-phenyltriazol-4-yl)ethyl]-4-(triazol-2-yl)aniline (CID 146087804) is N-[1-(5-methyl-1-phenyltriazol-4-yl)ethyl]-4-(triazol-2-yl)aniline.
What is the SMILES notation for N-[1-(5-methyl-1-phenyltriazol-4-yl)ethyl]-4-(triazol-2-yl)aniline?
The canonical SMILES for N-[1-(5-methyl-1-phenyltriazol-4-yl)ethyl]-4-(triazol-2-yl)aniline is Cc1c(C(C)Nc2ccc(-n3nccn3)cc2)nnn1-c1ccccc1.
What is the InChIKey of N-[1-(5-methyl-1-phenyltriazol-4-yl)ethyl]-4-(triazol-2-yl)aniline?
The InChIKey is JODVLAZRCJFOOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7/c1-14(19-15(2)25(24-23-19)17-6-4-3-5-7-17)22-16-8-10-18(11-9-16)26-20-12-13-21-26/h3-14,22H,1-2H3.
What are the key properties of N-[1-(5-methyl-1-phenyltriazol-4-yl)ethyl]-4-(triazol-2-yl)aniline?
N-[1-(5-methyl-1-phenyltriazol-4-yl)ethyl]-4-(triazol-2-yl)aniline has a molecular weight of 345.41 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methyl-1-phenyltriazol-4-yl)ethyl]-4-(triazol-2-yl)aniline is sourced from PubChem (CID 146087804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).