4-N-butan-2-yl-4-N-methyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine

C11H17N7 — CID 80775574

IUPAC4-N-butan-2-yl-4-N-methyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
SMILESCCC(C)N(C)c1nc(N)nc(-n2cccn2)n1
InChIInChI=1S/C11H17N7/c1-4-8(2)17(3)10-14-9(12)15-11(16-10)18-7-5-6-13-18/h5-8H,4H2,1-3H3,(H2,12,14,15,16)
InChIKeyZLYYCGQPUDXTEN-UHFFFAOYSA-N
MW247.31 g/mol
LogP0.87
Rot. Bonds4

About 4-N-butan-2-yl-4-N-methyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine

4-N-butan-2-yl-4-N-methyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine (PubChem CID 80775574) has the molecular formula C11H17N7 and a molecular weight of 247.31 g/mol. Its IUPAC name is 4-N-butan-2-yl-4-N-methyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-butan-2-yl-4-N-methyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
PubChem CID80775574
Molecular FormulaC11H17N7
Molecular Weight247.31 g/mol
Exact Mass247.15
IUPAC Name4-N-butan-2-yl-4-N-methyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
SMILESCCC(C)N(C)c1nc(N)nc(-n2cccn2)n1
InChIInChI=1S/C11H17N7/c1-4-8(2)17(3)10-14-9(12)15-11(16-10)18-7-5-6-13-18/h5-8H,4H2,1-3H3,(H2,12,14,15,16)
InChIKeyZLYYCGQPUDXTEN-UHFFFAOYSA-N
XLogP0.87
TPSA85.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.31
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-N-butan-2-yl-4-N-methyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

2-[(4-amino-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-methylamino]propan-1-ol
CID 104556974
4-N-methyl-4-N-(1-methylsulfanylpropan-2-yl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 112667910
3-[(4-amino-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-methylamino]butanenitrile
CID 80827821
4-N-(3,3-dimethylbutan-2-yl)-4-N-methyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80815319
4-N-(2-methylpropyl)-4-N-propan-2-yl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80820815
4-N-ethyl-4-N-(1-methoxypropan-2-yl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80815256
4-butan-2-ylsulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80887003
4-(4-methylpentan-2-yloxy)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80860065
4-hydrazinyl-N-methyl-N-(2-methylbutyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80894041
2-N-[2-[ethyl(methyl)amino]ethyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80831923
2-N-[2-(dimethylamino)ethyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80770186
2-[(4-amino-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]propan-1-ol
CID 80778918

Frequently Asked Questions

What is the IUPAC name of 4-N-butan-2-yl-4-N-methyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-butan-2-yl-4-N-methyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine (CID 80775574) is 4-N-butan-2-yl-4-N-methyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-butan-2-yl-4-N-methyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-butan-2-yl-4-N-methyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine is CCC(C)N(C)c1nc(N)nc(-n2cccn2)n1.
What is the InChIKey of 4-N-butan-2-yl-4-N-methyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is ZLYYCGQPUDXTEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N7/c1-4-8(2)17(3)10-14-9(12)15-11(16-10)18-7-5-6-13-18/h5-8H,4H2,1-3H3,(H2,12,14,15,16).
What are the key properties of 4-N-butan-2-yl-4-N-methyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine?
4-N-butan-2-yl-4-N-methyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 247.31 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butan-2-yl-4-N-methyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80775574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).