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

C8H14N4 — CID 82414076

IUPAC3-(3,5-dimethyl-1,2,4-triazin-6-yl)propan-1-amine
SMILESCc1nnc(CCCN)c(C)n1
InChIInChI=1S/C8H14N4/c1-6-8(4-3-5-9)12-11-7(2)10-6/h3-5,9H2,1-2H3
InChIKeyGGFSQVBQBVOZPW-UHFFFAOYSA-N
MW166.23 g/mol
LogP0.38
Rot. Bonds3

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

3-(3,5-dimethyl-1,2,4-triazin-6-yl)propan-1-amine (PubChem CID 82414076) has the molecular formula C8H14N4 and a molecular weight of 166.23 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1,2,4-triazin-6-yl)propan-1-amine.

Molecular Properties

Compound Name3-(3,5-dimethyl-1,2,4-triazin-6-yl)propan-1-amine
PubChem CID82414076
Molecular FormulaC8H14N4
Molecular Weight166.23 g/mol
Exact Mass166.12
IUPAC Name3-(3,5-dimethyl-1,2,4-triazin-6-yl)propan-1-amine
SMILESCc1nnc(CCCN)c(C)n1
InChIInChI=1S/C8H14N4/c1-6-8(4-3-5-9)12-11-7(2)10-6/h3-5,9H2,1-2H3
InChIKeyGGFSQVBQBVOZPW-UHFFFAOYSA-N
XLogP0.38
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.23
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;6-ethyl-3,5-dimethyl-1,2,4-triazine
CID 170731703
3-(3-methylpyrazin-2-yl)propan-1-amine
CID 82417256
3-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-5-methyltriazol-4-yl]propan-1-amine
CID 82221898
3-(4,6-dimethyl-2-propylpyrimidin-5-yl)propan-1-amine
CID 62745596
butan-1-amine;3,6-dichloro-5-pentyl-1,2,4-triazine;3,5,6-trichloro-1,2,4-triazine
CID 162120381
3-(2,3,4,5,6-pentamethylphenyl)propan-1-amine
CID 59138114
3-(5-methyl-1,2,4-triazin-3-yl)propan-1-amine
CID 82417070
N'-(2,4,6-trimethylpyrimidin-5-yl)propane-1,3-diamine
CID 117212541
5-(3-aminopropyl)-4,6-dimethyl-1H-pyrimidin-2-one
CID 82503870
5-(3-aminopropyl)-4,6-dimethyl-1H-pyrimidine-2-thione
CID 115070125
3-(8-methylisoquinolin-1-yl)propan-1-amine
CID 82576542
3-(3-fluoropropyl)-6-methyl-1,2,4,5-tetrazine
CID 122196525

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1,2,4-triazin-6-yl)propan-1-amine?
The IUPAC name of 3-(3,5-dimethyl-1,2,4-triazin-6-yl)propan-1-amine (CID 82414076) is 3-(3,5-dimethyl-1,2,4-triazin-6-yl)propan-1-amine.
What is the SMILES notation for 3-(3,5-dimethyl-1,2,4-triazin-6-yl)propan-1-amine?
The canonical SMILES for 3-(3,5-dimethyl-1,2,4-triazin-6-yl)propan-1-amine is Cc1nnc(CCCN)c(C)n1.
What is the InChIKey of 3-(3,5-dimethyl-1,2,4-triazin-6-yl)propan-1-amine?
The InChIKey is GGFSQVBQBVOZPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4/c1-6-8(4-3-5-9)12-11-7(2)10-6/h3-5,9H2,1-2H3.
What are the key properties of 3-(3,5-dimethyl-1,2,4-triazin-6-yl)propan-1-amine?
3-(3,5-dimethyl-1,2,4-triazin-6-yl)propan-1-amine has a molecular weight of 166.23 g/mol, XLogP of 0.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1,2,4-triazin-6-yl)propan-1-amine is sourced from PubChem (CID 82414076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).