N-benzyl-4-(3,5-dimethylpyrazol-1-yl)-6-methyl-1,3,5-triazin-2-amine

C16H18N6 — CID 877206

IUPACN-benzyl-4-(3,5-dimethylpyrazol-1-yl)-6-methyl-1,3,5-triazin-2-amine
SMILESCc1cc(C)n(-c2nc(C)nc(NCc3ccccc3)n2)n1
InChIInChI=1S/C16H18N6/c1-11-9-12(2)22(21-11)16-19-13(3)18-15(20-16)17-10-14-7-5-4-6-8-14/h4-9H,10H2,1-3H3,(H,17,18,19,20)
InChIKeyBXOAVGAZRAHKOK-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.59
Rot. Bonds4

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

N-benzyl-4-(3,5-dimethylpyrazol-1-yl)-6-methyl-1,3,5-triazin-2-amine (PubChem CID 877206) has the molecular formula C16H18N6 and a molecular weight of 294.36 g/mol. Its IUPAC name is N-benzyl-4-(3,5-dimethylpyrazol-1-yl)-6-methyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-benzyl-4-(3,5-dimethylpyrazol-1-yl)-6-methyl-1,3,5-triazin-2-amine
PubChem CID877206
Molecular FormulaC16H18N6
Molecular Weight294.36 g/mol
Exact Mass294.16
IUPAC NameN-benzyl-4-(3,5-dimethylpyrazol-1-yl)-6-methyl-1,3,5-triazin-2-amine
SMILESCc1cc(C)n(-c2nc(C)nc(NCc3ccccc3)n2)n1
InChIInChI=1S/C16H18N6/c1-11-9-12(2)22(21-11)16-19-13(3)18-15(20-16)17-10-14-7-5-4-6-8-14/h4-9H,10H2,1-3H3,(H,17,18,19,20)
InChIKeyBXOAVGAZRAHKOK-UHFFFAOYSA-N
XLogP2.59
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(3,5-dimethylpyrazol-1-yl)-6-methyl-1,3,5-triazin-2-amine?
The IUPAC name of N-benzyl-4-(3,5-dimethylpyrazol-1-yl)-6-methyl-1,3,5-triazin-2-amine (CID 877206) is N-benzyl-4-(3,5-dimethylpyrazol-1-yl)-6-methyl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-benzyl-4-(3,5-dimethylpyrazol-1-yl)-6-methyl-1,3,5-triazin-2-amine?
The canonical SMILES for N-benzyl-4-(3,5-dimethylpyrazol-1-yl)-6-methyl-1,3,5-triazin-2-amine is Cc1cc(C)n(-c2nc(C)nc(NCc3ccccc3)n2)n1.
What is the InChIKey of N-benzyl-4-(3,5-dimethylpyrazol-1-yl)-6-methyl-1,3,5-triazin-2-amine?
The InChIKey is BXOAVGAZRAHKOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6/c1-11-9-12(2)22(21-11)16-19-13(3)18-15(20-16)17-10-14-7-5-4-6-8-14/h4-9H,10H2,1-3H3,(H,17,18,19,20).
What are the key properties of N-benzyl-4-(3,5-dimethylpyrazol-1-yl)-6-methyl-1,3,5-triazin-2-amine?
N-benzyl-4-(3,5-dimethylpyrazol-1-yl)-6-methyl-1,3,5-triazin-2-amine has a molecular weight of 294.36 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(3,5-dimethylpyrazol-1-yl)-6-methyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 877206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).