N-(2,4,4-trimethylpentan-2-yl)triazin-4-amine

C11H20N4 — CID 23304103

IUPACN-(2,4,4-trimethylpentan-2-yl)triazin-4-amine
SMILESCC(C)(C)CC(C)(C)Nc1ccnnn1
InChIInChI=1S/C11H20N4/c1-10(2,3)8-11(4,5)13-9-6-7-12-15-14-9/h6-7H,8H2,1-5H3,(H,12,13,14)
InChIKeyYYFAOQLSUMGQRJ-UHFFFAOYSA-N
MW208.31 g/mol
LogP2.50
Rot. Bonds3

About N-(2,4,4-trimethylpentan-2-yl)triazin-4-amine

N-(2,4,4-trimethylpentan-2-yl)triazin-4-amine (PubChem CID 23304103) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is N-(2,4,4-trimethylpentan-2-yl)triazin-4-amine.

Molecular Properties

Compound NameN-(2,4,4-trimethylpentan-2-yl)triazin-4-amine
PubChem CID23304103
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC NameN-(2,4,4-trimethylpentan-2-yl)triazin-4-amine
SMILESCC(C)(C)CC(C)(C)Nc1ccnnn1
InChIInChI=1S/C11H20N4/c1-10(2,3)8-11(4,5)13-9-6-7-12-15-14-9/h6-7H,8H2,1-5H3,(H,12,13,14)
InChIKeyYYFAOQLSUMGQRJ-UHFFFAOYSA-N
XLogP2.50
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,4,4-trimethylpentan-2-yl)triazin-4-amine?
The IUPAC name of N-(2,4,4-trimethylpentan-2-yl)triazin-4-amine (CID 23304103) is N-(2,4,4-trimethylpentan-2-yl)triazin-4-amine.
What is the SMILES notation for N-(2,4,4-trimethylpentan-2-yl)triazin-4-amine?
The canonical SMILES for N-(2,4,4-trimethylpentan-2-yl)triazin-4-amine is CC(C)(C)CC(C)(C)Nc1ccnnn1.
What is the InChIKey of N-(2,4,4-trimethylpentan-2-yl)triazin-4-amine?
The InChIKey is YYFAOQLSUMGQRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-10(2,3)8-11(4,5)13-9-6-7-12-15-14-9/h6-7H,8H2,1-5H3,(H,12,13,14).
What are the key properties of N-(2,4,4-trimethylpentan-2-yl)triazin-4-amine?
N-(2,4,4-trimethylpentan-2-yl)triazin-4-amine has a molecular weight of 208.31 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4,4-trimethylpentan-2-yl)triazin-4-amine is sourced from PubChem (CID 23304103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).