1-(5-methyl-1,2,4-triazin-3-yl)butan-1-amine

C8H14N4 — CID 82414086

IUPAC1-(5-methyl-1,2,4-triazin-3-yl)butan-1-amine
SMILESCCCC(N)c1nncc(C)n1
InChIInChI=1S/C8H14N4/c1-3-4-7(9)8-11-6(2)5-10-12-8/h5,7H,3-4,9H2,1-2H3
InChIKeyZCBKQWAGEGMCSI-UHFFFAOYSA-N
MW166.23 g/mol
LogP0.98
Rot. Bonds3

About 1-(5-methyl-1,2,4-triazin-3-yl)butan-1-amine

1-(5-methyl-1,2,4-triazin-3-yl)butan-1-amine (PubChem CID 82414086) has the molecular formula C8H14N4 and a molecular weight of 166.23 g/mol. Its IUPAC name is 1-(5-methyl-1,2,4-triazin-3-yl)butan-1-amine.

Molecular Properties

Compound Name1-(5-methyl-1,2,4-triazin-3-yl)butan-1-amine
PubChem CID82414086
Molecular FormulaC8H14N4
Molecular Weight166.23 g/mol
Exact Mass166.12
IUPAC Name1-(5-methyl-1,2,4-triazin-3-yl)butan-1-amine
SMILESCCCC(N)c1nncc(C)n1
InChIInChI=1S/C8H14N4/c1-3-4-7(9)8-11-6(2)5-10-12-8/h5,7H,3-4,9H2,1-2H3
InChIKeyZCBKQWAGEGMCSI-UHFFFAOYSA-N
XLogP0.98
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 ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methylpyrimidin-2-yl)butan-1-amine
CID 63320980
1-(4-tert-butyl-6-methylpyrimidin-2-yl)butan-1-amine
CID 63318911
1-(4-methyl-1,3-oxazol-2-yl)butan-1-amine
CID 82416558
1-(6-methyl-2-pyridinyl)butan-1-amine
CID 63554352
1-[5-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-3-yl]butan-1-amine
CID 66157200
1-(4-propan-2-yl-6-propylpyrimidin-2-yl)butan-1-amine
CID 55206431
1-(5-ethyl-1,2,4-triazin-3-yl)ethanamine
CID 105429787
(1R)-1-(1,2,4-oxadiazol-3-yl)butan-1-amine
CID 93243184
1-(3-methyl-1,2,4-triazin-5-yl)propan-1-amine
CID 82417055
5-(1-aminobutyl)-2-fluoropyridin-3-amine
CID 55294196
5-[(1R)-1-aminobutyl]pyridin-3-ol
CID 55276968
(1R)-1-(4-propan-2-yl-1,2,4-triazol-3-yl)butan-1-amine
CID 94552688

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1,2,4-triazin-3-yl)butan-1-amine?
The IUPAC name of 1-(5-methyl-1,2,4-triazin-3-yl)butan-1-amine (CID 82414086) is 1-(5-methyl-1,2,4-triazin-3-yl)butan-1-amine.
What is the SMILES notation for 1-(5-methyl-1,2,4-triazin-3-yl)butan-1-amine?
The canonical SMILES for 1-(5-methyl-1,2,4-triazin-3-yl)butan-1-amine is CCCC(N)c1nncc(C)n1.
What is the InChIKey of 1-(5-methyl-1,2,4-triazin-3-yl)butan-1-amine?
The InChIKey is ZCBKQWAGEGMCSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4/c1-3-4-7(9)8-11-6(2)5-10-12-8/h5,7H,3-4,9H2,1-2H3.
What are the key properties of 1-(5-methyl-1,2,4-triazin-3-yl)butan-1-amine?
1-(5-methyl-1,2,4-triazin-3-yl)butan-1-amine has a molecular weight of 166.23 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1,2,4-triazin-3-yl)butan-1-amine is sourced from PubChem (CID 82414086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).