3-N-methyl-1-N-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3-N-propan-2-ylbenzene-1,3-diamine

C16H20N6 — CID 133295708

IUPAC3-N-methyl-1-N-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3-N-propan-2-ylbenzene-1,3-diamine
SMILESCc1cc(Nc2cccc(N(C)C(C)C)c2)n2ncnc2n1
InChIInChI=1S/C16H20N6/c1-11(2)21(4)14-7-5-6-13(9-14)20-15-8-12(3)19-16-17-10-18-22(15)16/h5-11,20H,1-4H3
InChIKeyZDBIYCFHISMCGY-UHFFFAOYSA-N
MW296.38 g/mol
LogP3.02
Rot. Bonds4

About 3-N-methyl-1-N-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3-N-propan-2-ylbenzene-1,3-diamine

3-N-methyl-1-N-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3-N-propan-2-ylbenzene-1,3-diamine (PubChem CID 133295708) has the molecular formula C16H20N6 and a molecular weight of 296.38 g/mol. Its IUPAC name is 3-N-methyl-1-N-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3-N-propan-2-ylbenzene-1,3-diamine.

Molecular Properties

Compound Name3-N-methyl-1-N-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3-N-propan-2-ylbenzene-1,3-diamine
PubChem CID133295708
Molecular FormulaC16H20N6
Molecular Weight296.38 g/mol
Exact Mass296.17
IUPAC Name3-N-methyl-1-N-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3-N-propan-2-ylbenzene-1,3-diamine
SMILESCc1cc(Nc2cccc(N(C)C(C)C)c2)n2ncnc2n1
InChIInChI=1S/C16H20N6/c1-11(2)21(4)14-7-5-6-13(9-14)20-15-8-12(3)19-16-17-10-18-22(15)16/h5-11,20H,1-4H3
InChIKeyZDBIYCFHISMCGY-UHFFFAOYSA-N
XLogP3.02
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.38
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-N-methyl-1-N-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3-N-propan-2-ylbenzene-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-methyl-N-(6-methyl-2-pyridinyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 6493508
5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 741597
2-[N-benzyl-3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]anilino]acetamide
CID 133287658
N-[[3-(dimethylamino)phenyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133279612
N-[3,4-bis(trifluoromethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 51347394
5-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 25263432
5-chloro-N-(3-propan-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918268
N-(1-benzothiophen-5-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 51347105
N-(4-ethoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 743051
N,N-dimethyl-1-(4-methylphenyl)-N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine
CID 138988417
N-(4-tert-butyl-3-fluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 51347392
N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 7416167

Frequently Asked Questions

What is the IUPAC name of 3-N-methyl-1-N-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3-N-propan-2-ylbenzene-1,3-diamine?
The IUPAC name of 3-N-methyl-1-N-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3-N-propan-2-ylbenzene-1,3-diamine (CID 133295708) is 3-N-methyl-1-N-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3-N-propan-2-ylbenzene-1,3-diamine.
What is the SMILES notation for 3-N-methyl-1-N-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3-N-propan-2-ylbenzene-1,3-diamine?
The canonical SMILES for 3-N-methyl-1-N-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3-N-propan-2-ylbenzene-1,3-diamine is Cc1cc(Nc2cccc(N(C)C(C)C)c2)n2ncnc2n1.
What is the InChIKey of 3-N-methyl-1-N-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3-N-propan-2-ylbenzene-1,3-diamine?
The InChIKey is ZDBIYCFHISMCGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6/c1-11(2)21(4)14-7-5-6-13(9-14)20-15-8-12(3)19-16-17-10-18-22(15)16/h5-11,20H,1-4H3.
What are the key properties of 3-N-methyl-1-N-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3-N-propan-2-ylbenzene-1,3-diamine?
3-N-methyl-1-N-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3-N-propan-2-ylbenzene-1,3-diamine has a molecular weight of 296.38 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-methyl-1-N-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3-N-propan-2-ylbenzene-1,3-diamine is sourced from PubChem (CID 133295708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).