1-(4,6-dimethyl-1,3,5-triazin-2-yl)propan-1-amine

C8H14N4 — CID 174898965

IUPAC1-(4,6-dimethyl-1,3,5-triazin-2-yl)propan-1-amine
SMILESCCC(N)c1nc(C)nc(C)n1
InChIInChI=1S/C8H14N4/c1-4-7(9)8-11-5(2)10-6(3)12-8/h7H,4,9H2,1-3H3
InChIKeyMSWOQVJFPTZFKO-UHFFFAOYSA-N
MW166.23 g/mol
LogP0.90
Rot. Bonds2

About 1-(4,6-dimethyl-1,3,5-triazin-2-yl)propan-1-amine

1-(4,6-dimethyl-1,3,5-triazin-2-yl)propan-1-amine (PubChem CID 174898965) has the molecular formula C8H14N4 and a molecular weight of 166.23 g/mol. Its IUPAC name is 1-(4,6-dimethyl-1,3,5-triazin-2-yl)propan-1-amine.

Molecular Properties

Compound Name1-(4,6-dimethyl-1,3,5-triazin-2-yl)propan-1-amine
PubChem CID174898965
Molecular FormulaC8H14N4
Molecular Weight166.23 g/mol
Exact Mass166.12
IUPAC Name1-(4,6-dimethyl-1,3,5-triazin-2-yl)propan-1-amine
SMILESCCC(N)c1nc(C)nc(C)n1
InChIInChI=1S/C8H14N4/c1-4-7(9)8-11-5(2)10-6(3)12-8/h7H,4,9H2,1-3H3
InChIKeyMSWOQVJFPTZFKO-UHFFFAOYSA-N
XLogP0.90
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.23
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethyl-1,3,5-triazin-2-yl)propan-1-amine?
The IUPAC name of 1-(4,6-dimethyl-1,3,5-triazin-2-yl)propan-1-amine (CID 174898965) is 1-(4,6-dimethyl-1,3,5-triazin-2-yl)propan-1-amine.
What is the SMILES notation for 1-(4,6-dimethyl-1,3,5-triazin-2-yl)propan-1-amine?
The canonical SMILES for 1-(4,6-dimethyl-1,3,5-triazin-2-yl)propan-1-amine is CCC(N)c1nc(C)nc(C)n1.
What is the InChIKey of 1-(4,6-dimethyl-1,3,5-triazin-2-yl)propan-1-amine?
The InChIKey is MSWOQVJFPTZFKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4/c1-4-7(9)8-11-5(2)10-6(3)12-8/h7H,4,9H2,1-3H3.
What are the key properties of 1-(4,6-dimethyl-1,3,5-triazin-2-yl)propan-1-amine?
1-(4,6-dimethyl-1,3,5-triazin-2-yl)propan-1-amine has a molecular weight of 166.23 g/mol, XLogP of 0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethyl-1,3,5-triazin-2-yl)propan-1-amine is sourced from PubChem (CID 174898965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).