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

C8H15FN4 — CID 130758218

IUPAC4-fluoro-2-methyl-4-(4-methyl-1,2,4-triazol-3-yl)butan-2-amine
SMILESCn1cnnc1C(F)CC(C)(C)N
InChIInChI=1S/C8H15FN4/c1-8(2,10)4-6(9)7-12-11-5-13(7)3/h5-6H,4,10H2,1-3H3
InChIKeyBSKNMCLLBRUYTO-UHFFFAOYSA-N
MW186.23 g/mol
LogP0.95
Rot. Bonds3

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

4-fluoro-2-methyl-4-(4-methyl-1,2,4-triazol-3-yl)butan-2-amine (PubChem CID 130758218) has the molecular formula C8H15FN4 and a molecular weight of 186.23 g/mol. Its IUPAC name is 4-fluoro-2-methyl-4-(4-methyl-1,2,4-triazol-3-yl)butan-2-amine.

Molecular Properties

Compound Name4-fluoro-2-methyl-4-(4-methyl-1,2,4-triazol-3-yl)butan-2-amine
PubChem CID130758218
Molecular FormulaC8H15FN4
Molecular Weight186.23 g/mol
Exact Mass186.13
IUPAC Name4-fluoro-2-methyl-4-(4-methyl-1,2,4-triazol-3-yl)butan-2-amine
SMILESCn1cnnc1C(F)CC(C)(C)N
InChIInChI=1S/C8H15FN4/c1-8(2,10)4-6(9)7-12-11-5-13(7)3/h5-6H,4,10H2,1-3H3
InChIKeyBSKNMCLLBRUYTO-UHFFFAOYSA-N
XLogP0.95
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.23
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-4-(4-methyl-1,2,4-triazol-3-yl)butan-2-amine?
The IUPAC name of 4-fluoro-2-methyl-4-(4-methyl-1,2,4-triazol-3-yl)butan-2-amine (CID 130758218) is 4-fluoro-2-methyl-4-(4-methyl-1,2,4-triazol-3-yl)butan-2-amine.
What is the SMILES notation for 4-fluoro-2-methyl-4-(4-methyl-1,2,4-triazol-3-yl)butan-2-amine?
The canonical SMILES for 4-fluoro-2-methyl-4-(4-methyl-1,2,4-triazol-3-yl)butan-2-amine is Cn1cnnc1C(F)CC(C)(C)N.
What is the InChIKey of 4-fluoro-2-methyl-4-(4-methyl-1,2,4-triazol-3-yl)butan-2-amine?
The InChIKey is BSKNMCLLBRUYTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15FN4/c1-8(2,10)4-6(9)7-12-11-5-13(7)3/h5-6H,4,10H2,1-3H3.
What are the key properties of 4-fluoro-2-methyl-4-(4-methyl-1,2,4-triazol-3-yl)butan-2-amine?
4-fluoro-2-methyl-4-(4-methyl-1,2,4-triazol-3-yl)butan-2-amine has a molecular weight of 186.23 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methyl-4-(4-methyl-1,2,4-triazol-3-yl)butan-2-amine is sourced from PubChem (CID 130758218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).