5-N-butan-2-yl-3-N-(2,4,6-trimethylphenyl)-1,2,4-triazine-3,5-diamine

C16H23N5 — CID 112940757

IUPAC5-N-butan-2-yl-3-N-(2,4,6-trimethylphenyl)-1,2,4-triazine-3,5-diamine
SMILESCCC(C)Nc1cnnc(Nc2c(C)cc(C)cc2C)n1
InChIInChI=1S/C16H23N5/c1-6-13(5)18-14-9-17-21-16(19-14)20-15-11(3)7-10(2)8-12(15)4/h7-9,13H,6H2,1-5H3,(H2,18,19,20,21)
InChIKeyVVWBTZRLOSSDMO-UHFFFAOYSA-N
MW285.40 g/mol
LogP3.75
Rot. Bonds5

About 5-N-butan-2-yl-3-N-(2,4,6-trimethylphenyl)-1,2,4-triazine-3,5-diamine

5-N-butan-2-yl-3-N-(2,4,6-trimethylphenyl)-1,2,4-triazine-3,5-diamine (PubChem CID 112940757) has the molecular formula C16H23N5 and a molecular weight of 285.40 g/mol. Its IUPAC name is 5-N-butan-2-yl-3-N-(2,4,6-trimethylphenyl)-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name5-N-butan-2-yl-3-N-(2,4,6-trimethylphenyl)-1,2,4-triazine-3,5-diamine
PubChem CID112940757
Molecular FormulaC16H23N5
Molecular Weight285.40 g/mol
Exact Mass285.20
IUPAC Name5-N-butan-2-yl-3-N-(2,4,6-trimethylphenyl)-1,2,4-triazine-3,5-diamine
SMILESCCC(C)Nc1cnnc(Nc2c(C)cc(C)cc2C)n1
InChIInChI=1S/C16H23N5/c1-6-13(5)18-14-9-17-21-16(19-14)20-15-11(3)7-10(2)8-12(15)4/h7-9,13H,6H2,1-5H3,(H2,18,19,20,21)
InChIKeyVVWBTZRLOSSDMO-UHFFFAOYSA-N
XLogP3.75
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.40
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-N-butan-2-yl-5-N-(2-chloro-4,6-dimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112940965
5-N-butan-2-yl-3-N-[2,6-di(propan-2-yl)phenyl]-1,2,4-triazine-3,5-diamine
CID 112940818
5-N-butan-2-yl-3-N-(3-fluorophenyl)-1,2,4-triazine-3,5-diamine
CID 112940810
5-N-(4-propan-2-yloxyphenyl)-3-N-(2,4,6-trimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112964970
5-N-[3-(dimethylamino)propyl]-3-N-(2,4,6-trimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112945506
5-N-butan-2-yl-3-N-(4-propan-2-yloxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112940784
3-N-(1,3-benzodioxol-5-yl)-5-N-butan-2-yl-1,2,4-triazine-3,5-diamine
CID 112940816
5-N-butan-2-yl-3-N-(4-phenoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112940808
3-N-butan-2-yl-5-N-(3-chloro-4-methylphenyl)-1,2,4-triazine-3,5-diamine
CID 112940963
5-N-butan-2-yl-3-N-[2-chloro-5-(trifluoromethyl)phenyl]-1,2,4-triazine-3,5-diamine
CID 112940799
3-N-(3,4-dimethylphenyl)-5-N-(2,4,6-trimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112963395
5-N-(pyridin-2-ylmethyl)-3-N-(2,4,6-trimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112951910

Frequently Asked Questions

What is the IUPAC name of 5-N-butan-2-yl-3-N-(2,4,6-trimethylphenyl)-1,2,4-triazine-3,5-diamine?
The IUPAC name of 5-N-butan-2-yl-3-N-(2,4,6-trimethylphenyl)-1,2,4-triazine-3,5-diamine (CID 112940757) is 5-N-butan-2-yl-3-N-(2,4,6-trimethylphenyl)-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 5-N-butan-2-yl-3-N-(2,4,6-trimethylphenyl)-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 5-N-butan-2-yl-3-N-(2,4,6-trimethylphenyl)-1,2,4-triazine-3,5-diamine is CCC(C)Nc1cnnc(Nc2c(C)cc(C)cc2C)n1.
What is the InChIKey of 5-N-butan-2-yl-3-N-(2,4,6-trimethylphenyl)-1,2,4-triazine-3,5-diamine?
The InChIKey is VVWBTZRLOSSDMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-6-13(5)18-14-9-17-21-16(19-14)20-15-11(3)7-10(2)8-12(15)4/h7-9,13H,6H2,1-5H3,(H2,18,19,20,21).
What are the key properties of 5-N-butan-2-yl-3-N-(2,4,6-trimethylphenyl)-1,2,4-triazine-3,5-diamine?
5-N-butan-2-yl-3-N-(2,4,6-trimethylphenyl)-1,2,4-triazine-3,5-diamine has a molecular weight of 285.40 g/mol, XLogP of 3.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-butan-2-yl-3-N-(2,4,6-trimethylphenyl)-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112940757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).