4,5-dimethyl-N-(3-methylbutyl)triazol-1-amine

C9H18N4 — CID 165452036

IUPAC4,5-dimethyl-N-(3-methylbutyl)triazol-1-amine
SMILESCc1nnn(NCCC(C)C)c1C
InChIInChI=1S/C9H18N4/c1-7(2)5-6-10-13-9(4)8(3)11-12-13/h7,10H,5-6H2,1-4H3
InChIKeyUJGGAOMNBCGVTE-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.48
Rot. Bonds4

About 4,5-dimethyl-N-(3-methylbutyl)triazol-1-amine

4,5-dimethyl-N-(3-methylbutyl)triazol-1-amine (PubChem CID 165452036) has the molecular formula C9H18N4 and a molecular weight of 182.27 g/mol. Its IUPAC name is 4,5-dimethyl-N-(3-methylbutyl)triazol-1-amine.

Molecular Properties

Compound Name4,5-dimethyl-N-(3-methylbutyl)triazol-1-amine
PubChem CID165452036
Molecular FormulaC9H18N4
Molecular Weight182.27 g/mol
Exact Mass182.15
IUPAC Name4,5-dimethyl-N-(3-methylbutyl)triazol-1-amine
SMILESCc1nnn(NCCC(C)C)c1C
InChIInChI=1S/C9H18N4/c1-7(2)5-6-10-13-9(4)8(3)11-12-13/h7,10H,5-6H2,1-4H3
InChIKeyUJGGAOMNBCGVTE-UHFFFAOYSA-N
XLogP1.48
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-butan-2-yl-4,5-dimethyltriazole
CID 89451991
N-[2-(4,5-dimethyltriazol-1-yl)ethyl]propan-2-amine
CID 121367696
N-[1-(4,5-dimethylimidazol-1-yl)propan-2-yl]-3-methylbutan-1-amine
CID 115888361
1,4-dimethyl-5-(3-methylpentyl)triazole;ethane
CID 177341764
5-methyl-1-(3-methylbutyl)triazol-4-amine
CID 79542788
N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)propyl]-3-methylbutan-1-amine
CID 62566635
6-hydrazinyl-2-methyl-N-(3-methylbutyl)pyrimidin-4-amine
CID 80932318
ethyl 5-methyl-1-[1-(3-methylbutylamino)-1-oxopropan-2-yl]triazole-4-carboxylate
CID 103104945
N-(3-methylbutyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 110695387
N-[2-[3,5-dimethyl-1-(4-methylpentyl)pyrazol-4-yl]ethyl]-2-methylpropan-1-amine
CID 83168483
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(3-methylbutyl)acetamide
CID 55024544
1-ethyl-3-methyl-5-N-(3-methylbutyl)pyrazole-4,5-diamine
CID 66011030

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-N-(3-methylbutyl)triazol-1-amine?
The IUPAC name of 4,5-dimethyl-N-(3-methylbutyl)triazol-1-amine (CID 165452036) is 4,5-dimethyl-N-(3-methylbutyl)triazol-1-amine.
What is the SMILES notation for 4,5-dimethyl-N-(3-methylbutyl)triazol-1-amine?
The canonical SMILES for 4,5-dimethyl-N-(3-methylbutyl)triazol-1-amine is Cc1nnn(NCCC(C)C)c1C.
What is the InChIKey of 4,5-dimethyl-N-(3-methylbutyl)triazol-1-amine?
The InChIKey is UJGGAOMNBCGVTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4/c1-7(2)5-6-10-13-9(4)8(3)11-12-13/h7,10H,5-6H2,1-4H3.
What are the key properties of 4,5-dimethyl-N-(3-methylbutyl)triazol-1-amine?
4,5-dimethyl-N-(3-methylbutyl)triazol-1-amine has a molecular weight of 182.27 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-N-(3-methylbutyl)triazol-1-amine is sourced from PubChem (CID 165452036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).