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

C11H22N4 — CID 61376856

IUPAC3-methyl-1-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)butan-1-amine
SMILESCc1nnc(C(N)CC(C)C)n1C(C)C
InChIInChI=1S/C11H22N4/c1-7(2)6-10(12)11-14-13-9(5)15(11)8(3)4/h7-8,10H,6,12H2,1-5H3
InChIKeyOQERDWDXCGFSGT-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.21
Rot. Bonds4

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

3-methyl-1-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)butan-1-amine (PubChem CID 61376856) has the molecular formula C11H22N4 and a molecular weight of 210.32 g/mol. Its IUPAC name is 3-methyl-1-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)butan-1-amine.

Molecular Properties

Compound Name3-methyl-1-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)butan-1-amine
PubChem CID61376856
Molecular FormulaC11H22N4
Molecular Weight210.32 g/mol
Exact Mass210.18
IUPAC Name3-methyl-1-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)butan-1-amine
SMILESCc1nnc(C(N)CC(C)C)n1C(C)C
InChIInChI=1S/C11H22N4/c1-7(2)6-10(12)11-14-13-9(5)15(11)8(3)4/h7-8,10H,6,12H2,1-5H3
InChIKeyOQERDWDXCGFSGT-UHFFFAOYSA-N
XLogP2.21
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)butan-1-amine?
The IUPAC name of 3-methyl-1-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)butan-1-amine (CID 61376856) is 3-methyl-1-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)butan-1-amine.
What is the SMILES notation for 3-methyl-1-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)butan-1-amine?
The canonical SMILES for 3-methyl-1-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)butan-1-amine is Cc1nnc(C(N)CC(C)C)n1C(C)C.
What is the InChIKey of 3-methyl-1-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)butan-1-amine?
The InChIKey is OQERDWDXCGFSGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4/c1-7(2)6-10(12)11-14-13-9(5)15(11)8(3)4/h7-8,10H,6,12H2,1-5H3.
What are the key properties of 3-methyl-1-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)butan-1-amine?
3-methyl-1-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)butan-1-amine has a molecular weight of 210.32 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)butan-1-amine is sourced from PubChem (CID 61376856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).