N-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-4,6-dimethyl-1,3,5-triazin-2-amine

C14H18N4 — CID 70828456

IUPACN-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-4,6-dimethyl-1,3,5-triazin-2-amine
SMILESCc1nc(C)nc(NC2=CC=CC(C)(C)C=C2)n1
InChIInChI=1S/C14H18N4/c1-10-15-11(2)17-13(16-10)18-12-6-5-8-14(3,4)9-7-12/h5-9H,1-4H3,(H,15,16,17,18)
InChIKeyULNAQAKWLMWZQB-UHFFFAOYSA-N
MW242.33 g/mol
LogP2.94
Rot. Bonds2

About N-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-4,6-dimethyl-1,3,5-triazin-2-amine

N-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-4,6-dimethyl-1,3,5-triazin-2-amine (PubChem CID 70828456) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is N-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-4,6-dimethyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-4,6-dimethyl-1,3,5-triazin-2-amine
PubChem CID70828456
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC NameN-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-4,6-dimethyl-1,3,5-triazin-2-amine
SMILESCc1nc(C)nc(NC2=CC=CC(C)(C)C=C2)n1
InChIInChI=1S/C14H18N4/c1-10-15-11(2)17-13(16-10)18-12-6-5-8-14(3,4)9-7-12/h5-9H,1-4H3,(H,15,16,17,18)
InChIKeyULNAQAKWLMWZQB-UHFFFAOYSA-N
XLogP2.94
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-4,6-dimethyl-1,3,5-triazin-2-amine?
The IUPAC name of N-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-4,6-dimethyl-1,3,5-triazin-2-amine (CID 70828456) is N-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-4,6-dimethyl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-4,6-dimethyl-1,3,5-triazin-2-amine?
The canonical SMILES for N-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-4,6-dimethyl-1,3,5-triazin-2-amine is Cc1nc(C)nc(NC2=CC=CC(C)(C)C=C2)n1.
What is the InChIKey of N-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-4,6-dimethyl-1,3,5-triazin-2-amine?
The InChIKey is ULNAQAKWLMWZQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-10-15-11(2)17-13(16-10)18-12-6-5-8-14(3,4)9-7-12/h5-9H,1-4H3,(H,15,16,17,18).
What are the key properties of N-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-4,6-dimethyl-1,3,5-triazin-2-amine?
N-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-4,6-dimethyl-1,3,5-triazin-2-amine has a molecular weight of 242.33 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-4,6-dimethyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 70828456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).