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

C8H16N4 — CID 61279337

IUPAC2-methyl-1-(5-methyl-1H-1,2,4-triazol-3-yl)butan-1-amine
SMILESCCC(C)C(N)c1n[nH]c(C)n1
InChIInChI=1S/C8H16N4/c1-4-5(2)7(9)8-10-6(3)11-12-8/h5,7H,4,9H2,1-3H3,(H,10,11,12)
InChIKeyVGMXCYGOFAIOLY-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.16
Rot. Bonds3

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

2-methyl-1-(5-methyl-1H-1,2,4-triazol-3-yl)butan-1-amine (PubChem CID 61279337) has the molecular formula C8H16N4 and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-methyl-1-(5-methyl-1H-1,2,4-triazol-3-yl)butan-1-amine.

Molecular Properties

Compound Name2-methyl-1-(5-methyl-1H-1,2,4-triazol-3-yl)butan-1-amine
PubChem CID61279337
Molecular FormulaC8H16N4
Molecular Weight168.24 g/mol
Exact Mass168.14
IUPAC Name2-methyl-1-(5-methyl-1H-1,2,4-triazol-3-yl)butan-1-amine
SMILESCCC(C)C(N)c1n[nH]c(C)n1
InChIInChI=1S/C8H16N4/c1-4-5(2)7(9)8-10-6(3)11-12-8/h5,7H,4,9H2,1-3H3,(H,10,11,12)
InChIKeyVGMXCYGOFAIOLY-UHFFFAOYSA-N
XLogP1.16
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(5-methyl-1H-1,2,4-triazol-3-yl)butan-1-amine?
The IUPAC name of 2-methyl-1-(5-methyl-1H-1,2,4-triazol-3-yl)butan-1-amine (CID 61279337) is 2-methyl-1-(5-methyl-1H-1,2,4-triazol-3-yl)butan-1-amine.
What is the SMILES notation for 2-methyl-1-(5-methyl-1H-1,2,4-triazol-3-yl)butan-1-amine?
The canonical SMILES for 2-methyl-1-(5-methyl-1H-1,2,4-triazol-3-yl)butan-1-amine is CCC(C)C(N)c1n[nH]c(C)n1.
What is the InChIKey of 2-methyl-1-(5-methyl-1H-1,2,4-triazol-3-yl)butan-1-amine?
The InChIKey is VGMXCYGOFAIOLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4/c1-4-5(2)7(9)8-10-6(3)11-12-8/h5,7H,4,9H2,1-3H3,(H,10,11,12).
What are the key properties of 2-methyl-1-(5-methyl-1H-1,2,4-triazol-3-yl)butan-1-amine?
2-methyl-1-(5-methyl-1H-1,2,4-triazol-3-yl)butan-1-amine has a molecular weight of 168.24 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(5-methyl-1H-1,2,4-triazol-3-yl)butan-1-amine is sourced from PubChem (CID 61279337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).