N-(3,3-dimethylbutyl)-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine

C20H23N5 — CID 44631784

IUPACN-(3,3-dimethylbutyl)-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine
SMILESCC(C)(C)CCNc1nc(-c2ccccn2)nnc1-c1ccccc1
InChIInChI=1S/C20H23N5/c1-20(2,3)12-14-22-19-17(15-9-5-4-6-10-15)24-25-18(23-19)16-11-7-8-13-21-16/h4-11,13H,12,14H2,1-3H3,(H,22,23,25)
InChIKeyVZQQBRATUAQGEU-UHFFFAOYSA-N
MW333.44 g/mol
LogP4.45
Rot. Bonds5

About N-(3,3-dimethylbutyl)-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine

N-(3,3-dimethylbutyl)-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine (PubChem CID 44631784) has the molecular formula C20H23N5 and a molecular weight of 333.44 g/mol. Its IUPAC name is N-(3,3-dimethylbutyl)-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine.

Molecular Properties

Compound NameN-(3,3-dimethylbutyl)-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine
PubChem CID44631784
Molecular FormulaC20H23N5
Molecular Weight333.44 g/mol
Exact Mass333.20
IUPAC NameN-(3,3-dimethylbutyl)-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine
SMILESCC(C)(C)CCNc1nc(-c2ccccn2)nnc1-c1ccccc1
InChIInChI=1S/C20H23N5/c1-20(2,3)12-14-22-19-17(15-9-5-4-6-10-15)24-25-18(23-19)16-11-7-8-13-21-16/h4-11,13H,12,14H2,1-3H3,(H,22,23,25)
InChIKeyVZQQBRATUAQGEU-UHFFFAOYSA-N
XLogP4.45
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutyl)-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine?
The IUPAC name of N-(3,3-dimethylbutyl)-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine (CID 44631784) is N-(3,3-dimethylbutyl)-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine.
What is the SMILES notation for N-(3,3-dimethylbutyl)-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine?
The canonical SMILES for N-(3,3-dimethylbutyl)-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine is CC(C)(C)CCNc1nc(-c2ccccn2)nnc1-c1ccccc1.
What is the InChIKey of N-(3,3-dimethylbutyl)-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine?
The InChIKey is VZQQBRATUAQGEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5/c1-20(2,3)12-14-22-19-17(15-9-5-4-6-10-15)24-25-18(23-19)16-11-7-8-13-21-16/h4-11,13H,12,14H2,1-3H3,(H,22,23,25).
What are the key properties of N-(3,3-dimethylbutyl)-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine?
N-(3,3-dimethylbutyl)-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine has a molecular weight of 333.44 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutyl)-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine is sourced from PubChem (CID 44631784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).