N-[(2-benzyl-5-phenyltriazol-4-yl)methyl]-2-methylpropan-2-amine

C20H24N4 — CID 44615823

IUPACN-[(2-benzyl-5-phenyltriazol-4-yl)methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1nn(Cc2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C20H24N4/c1-20(2,3)21-14-18-19(17-12-8-5-9-13-17)23-24(22-18)15-16-10-6-4-7-11-16/h4-13,21H,14-15H2,1-3H3
InChIKeySFQFTLNSMRJAGX-UHFFFAOYSA-N
MW320.44 g/mol
LogP3.88
Rot. Bonds5

About N-[(2-benzyl-5-phenyltriazol-4-yl)methyl]-2-methylpropan-2-amine

N-[(2-benzyl-5-phenyltriazol-4-yl)methyl]-2-methylpropan-2-amine (PubChem CID 44615823) has the molecular formula C20H24N4 and a molecular weight of 320.44 g/mol. Its IUPAC name is N-[(2-benzyl-5-phenyltriazol-4-yl)methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(2-benzyl-5-phenyltriazol-4-yl)methyl]-2-methylpropan-2-amine
PubChem CID44615823
Molecular FormulaC20H24N4
Molecular Weight320.44 g/mol
Exact Mass320.20
IUPAC NameN-[(2-benzyl-5-phenyltriazol-4-yl)methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1nn(Cc2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C20H24N4/c1-20(2,3)21-14-18-19(17-12-8-5-9-13-17)23-24(22-18)15-16-10-6-4-7-11-16/h4-13,21H,14-15H2,1-3H3
InChIKeySFQFTLNSMRJAGX-UHFFFAOYSA-N
XLogP3.88
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-benzyl-5-phenyltriazol-4-yl)methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[(2-benzyl-5-phenyltriazol-4-yl)methyl]-2-methylpropan-2-amine (CID 44615823) is N-[(2-benzyl-5-phenyltriazol-4-yl)methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[(2-benzyl-5-phenyltriazol-4-yl)methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[(2-benzyl-5-phenyltriazol-4-yl)methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1nn(Cc2ccccc2)nc1-c1ccccc1.
What is the InChIKey of N-[(2-benzyl-5-phenyltriazol-4-yl)methyl]-2-methylpropan-2-amine?
The InChIKey is SFQFTLNSMRJAGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4/c1-20(2,3)21-14-18-19(17-12-8-5-9-13-17)23-24(22-18)15-16-10-6-4-7-11-16/h4-13,21H,14-15H2,1-3H3.
What are the key properties of N-[(2-benzyl-5-phenyltriazol-4-yl)methyl]-2-methylpropan-2-amine?
N-[(2-benzyl-5-phenyltriazol-4-yl)methyl]-2-methylpropan-2-amine has a molecular weight of 320.44 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-benzyl-5-phenyltriazol-4-yl)methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 44615823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).