4-chloro-N-methyl-6-(3,4,5-trimethylpyrazol-1-yl)-1,3,5-triazin-2-amine

C10H13ClN6 — CID 80856747

IUPAC4-chloro-N-methyl-6-(3,4,5-trimethylpyrazol-1-yl)-1,3,5-triazin-2-amine
SMILESCNc1nc(Cl)nc(-n2nc(C)c(C)c2C)n1
InChIInChI=1S/C10H13ClN6/c1-5-6(2)16-17(7(5)3)10-14-8(11)13-9(12-4)15-10/h1-4H3,(H,12,13,14,15)
InChIKeyRZKGKSAQDXVNHG-UHFFFAOYSA-N
MW252.71 g/mol
LogP1.68
Rot. Bonds2

About 4-chloro-N-methyl-6-(3,4,5-trimethylpyrazol-1-yl)-1,3,5-triazin-2-amine

4-chloro-N-methyl-6-(3,4,5-trimethylpyrazol-1-yl)-1,3,5-triazin-2-amine (PubChem CID 80856747) has the molecular formula C10H13ClN6 and a molecular weight of 252.71 g/mol. Its IUPAC name is 4-chloro-N-methyl-6-(3,4,5-trimethylpyrazol-1-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-methyl-6-(3,4,5-trimethylpyrazol-1-yl)-1,3,5-triazin-2-amine
PubChem CID80856747
Molecular FormulaC10H13ClN6
Molecular Weight252.71 g/mol
Exact Mass252.09
IUPAC Name4-chloro-N-methyl-6-(3,4,5-trimethylpyrazol-1-yl)-1,3,5-triazin-2-amine
SMILESCNc1nc(Cl)nc(-n2nc(C)c(C)c2C)n1
InChIInChI=1S/C10H13ClN6/c1-5-6(2)16-17(7(5)3)10-14-8(11)13-9(12-4)15-10/h1-4H3,(H,12,13,14,15)
InChIKeyRZKGKSAQDXVNHG-UHFFFAOYSA-N
XLogP1.68
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.71
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-methyl-6-(3,4,5-trimethylpyrazol-1-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-methyl-6-(3,4,5-trimethylpyrazol-1-yl)-1,3,5-triazin-2-amine (CID 80856747) is 4-chloro-N-methyl-6-(3,4,5-trimethylpyrazol-1-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-methyl-6-(3,4,5-trimethylpyrazol-1-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-methyl-6-(3,4,5-trimethylpyrazol-1-yl)-1,3,5-triazin-2-amine is CNc1nc(Cl)nc(-n2nc(C)c(C)c2C)n1.
What is the InChIKey of 4-chloro-N-methyl-6-(3,4,5-trimethylpyrazol-1-yl)-1,3,5-triazin-2-amine?
The InChIKey is RZKGKSAQDXVNHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN6/c1-5-6(2)16-17(7(5)3)10-14-8(11)13-9(12-4)15-10/h1-4H3,(H,12,13,14,15).
What are the key properties of 4-chloro-N-methyl-6-(3,4,5-trimethylpyrazol-1-yl)-1,3,5-triazin-2-amine?
4-chloro-N-methyl-6-(3,4,5-trimethylpyrazol-1-yl)-1,3,5-triazin-2-amine has a molecular weight of 252.71 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-methyl-6-(3,4,5-trimethylpyrazol-1-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 80856747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).