2-methyl-4-(1-methyltriazol-4-yl)butan-1-amine

C8H16N4 — CID 107054917

IUPAC2-methyl-4-(1-methyltriazol-4-yl)butan-1-amine
SMILESCC(CN)CCc1cn(C)nn1
InChIInChI=1S/C8H16N4/c1-7(5-9)3-4-8-6-12(2)11-10-8/h6-7H,3-5,9H2,1-2H3
InChIKeyJEQQZINLUZMFJB-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.34
Rot. Bonds4

About 2-methyl-4-(1-methyltriazol-4-yl)butan-1-amine

2-methyl-4-(1-methyltriazol-4-yl)butan-1-amine (PubChem CID 107054917) has the molecular formula C8H16N4 and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-methyl-4-(1-methyltriazol-4-yl)butan-1-amine.

Molecular Properties

Compound Name2-methyl-4-(1-methyltriazol-4-yl)butan-1-amine
PubChem CID107054917
Molecular FormulaC8H16N4
Molecular Weight168.24 g/mol
Exact Mass168.14
IUPAC Name2-methyl-4-(1-methyltriazol-4-yl)butan-1-amine
SMILESCC(CN)CCc1cn(C)nn1
InChIInChI=1S/C8H16N4/c1-7(5-9)3-4-8-6-12(2)11-10-8/h6-7H,3-5,9H2,1-2H3
InChIKeyJEQQZINLUZMFJB-UHFFFAOYSA-N
XLogP0.34
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1-methyltriazol-4-yl)butan-2-amine
CID 107044565
2-methyl-4-(1-methyltriazol-4-yl)butanoic acid
CID 107058965
4-(4-bromo-5-methylhexyl)-1-methyltriazole
CID 107055103
ethane;1-methyl-4-propyltriazole
CID 168923376
N'-[2-(1-methyltriazol-4-yl)ethyl]ethane-1,2-diamine
CID 70457819
2-[(1-methyltriazol-4-yl)methylsulfonyl]propan-1-amine
CID 107059475
4-(1-methoxyethoxymethyl)-1-methyltriazole
CID 174763188
N-ethyl-1-(1-methyltriazol-4-yl)hexan-3-amine
CID 107044590
1-cyclopropyl-N-methyl-3-(1-methyltriazol-4-yl)propan-1-amine
CID 107044720
4-(3-bromopropyl)-1-methyltriazole
CID 107053634
4-(4-bromohexyl)-1-methyltriazole
CID 107055099
4-(4-bromo-5,5-dimethylhexyl)-1-methyltriazole
CID 107055110

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(1-methyltriazol-4-yl)butan-1-amine?
The IUPAC name of 2-methyl-4-(1-methyltriazol-4-yl)butan-1-amine (CID 107054917) is 2-methyl-4-(1-methyltriazol-4-yl)butan-1-amine.
What is the SMILES notation for 2-methyl-4-(1-methyltriazol-4-yl)butan-1-amine?
The canonical SMILES for 2-methyl-4-(1-methyltriazol-4-yl)butan-1-amine is CC(CN)CCc1cn(C)nn1.
What is the InChIKey of 2-methyl-4-(1-methyltriazol-4-yl)butan-1-amine?
The InChIKey is JEQQZINLUZMFJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4/c1-7(5-9)3-4-8-6-12(2)11-10-8/h6-7H,3-5,9H2,1-2H3.
What are the key properties of 2-methyl-4-(1-methyltriazol-4-yl)butan-1-amine?
2-methyl-4-(1-methyltriazol-4-yl)butan-1-amine has a molecular weight of 168.24 g/mol, XLogP of 0.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(1-methyltriazol-4-yl)butan-1-amine is sourced from PubChem (CID 107054917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).