5-N-tert-butyl-3-N-methyl-3-N-phenyl-1,2,4-triazine-3,5-diamine

C14H19N5 — CID 112958907

IUPAC5-N-tert-butyl-3-N-methyl-3-N-phenyl-1,2,4-triazine-3,5-diamine
SMILESCN(c1ccccc1)c1nncc(NC(C)(C)C)n1
InChIInChI=1S/C14H19N5/c1-14(2,3)17-12-10-15-18-13(16-12)19(4)11-8-6-5-7-9-11/h5-10H,1-4H3,(H,16,17,18)
InChIKeyRKJMTQZUIHHJAE-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.85
Rot. Bonds3

About 5-N-tert-butyl-3-N-methyl-3-N-phenyl-1,2,4-triazine-3,5-diamine

5-N-tert-butyl-3-N-methyl-3-N-phenyl-1,2,4-triazine-3,5-diamine (PubChem CID 112958907) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is 5-N-tert-butyl-3-N-methyl-3-N-phenyl-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name5-N-tert-butyl-3-N-methyl-3-N-phenyl-1,2,4-triazine-3,5-diamine
PubChem CID112958907
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC Name5-N-tert-butyl-3-N-methyl-3-N-phenyl-1,2,4-triazine-3,5-diamine
SMILESCN(c1ccccc1)c1nncc(NC(C)(C)C)n1
InChIInChI=1S/C14H19N5/c1-14(2,3)17-12-10-15-18-13(16-12)19(4)11-8-6-5-7-9-11/h5-10H,1-4H3,(H,16,17,18)
InChIKeyRKJMTQZUIHHJAE-UHFFFAOYSA-N
XLogP2.85
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-N-tert-butyl-3-N-methyl-3-N-phenyl-1,2,4-triazine-3,5-diamine?
The IUPAC name of 5-N-tert-butyl-3-N-methyl-3-N-phenyl-1,2,4-triazine-3,5-diamine (CID 112958907) is 5-N-tert-butyl-3-N-methyl-3-N-phenyl-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 5-N-tert-butyl-3-N-methyl-3-N-phenyl-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 5-N-tert-butyl-3-N-methyl-3-N-phenyl-1,2,4-triazine-3,5-diamine is CN(c1ccccc1)c1nncc(NC(C)(C)C)n1.
What is the InChIKey of 5-N-tert-butyl-3-N-methyl-3-N-phenyl-1,2,4-triazine-3,5-diamine?
The InChIKey is RKJMTQZUIHHJAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5/c1-14(2,3)17-12-10-15-18-13(16-12)19(4)11-8-6-5-7-9-11/h5-10H,1-4H3,(H,16,17,18).
What are the key properties of 5-N-tert-butyl-3-N-methyl-3-N-phenyl-1,2,4-triazine-3,5-diamine?
5-N-tert-butyl-3-N-methyl-3-N-phenyl-1,2,4-triazine-3,5-diamine has a molecular weight of 257.34 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-tert-butyl-3-N-methyl-3-N-phenyl-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112958907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).