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

C9H18N4 — CID 130530383

IUPAC2,3-dimethyl-1-(2-methyl-1,2,4-triazol-3-yl)butan-1-amine
SMILESCC(C)C(C)C(N)c1ncnn1C
InChIInChI=1S/C9H18N4/c1-6(2)7(3)8(10)9-11-5-12-13(9)4/h5-8H,10H2,1-4H3
InChIKeyHOIBMPCWJSNILJ-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.11
Rot. Bonds3

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

2,3-dimethyl-1-(2-methyl-1,2,4-triazol-3-yl)butan-1-amine (PubChem CID 130530383) has the molecular formula C9H18N4 and a molecular weight of 182.27 g/mol. Its IUPAC name is 2,3-dimethyl-1-(2-methyl-1,2,4-triazol-3-yl)butan-1-amine.

Molecular Properties

Compound Name2,3-dimethyl-1-(2-methyl-1,2,4-triazol-3-yl)butan-1-amine
PubChem CID130530383
Molecular FormulaC9H18N4
Molecular Weight182.27 g/mol
Exact Mass182.15
IUPAC Name2,3-dimethyl-1-(2-methyl-1,2,4-triazol-3-yl)butan-1-amine
SMILESCC(C)C(C)C(N)c1ncnn1C
InChIInChI=1S/C9H18N4/c1-6(2)7(3)8(10)9-11-5-12-13(9)4/h5-8H,10H2,1-4H3
InChIKeyHOIBMPCWJSNILJ-UHFFFAOYSA-N
XLogP1.11
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine;hydrochloride
CID 47000789
1-(2-methyl-1,2,4-triazol-3-yl)ethanamine;hydrochloride
CID 75493804
(2R)-2-amino-2-(2-methyl-1,2,4-triazol-3-yl)ethanol
CID 90284000
1-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine
CID 45490077
3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butan-1-ol
CID 130529355
ethyl 2-(2-methyl-1,2,4-triazol-3-yl)butanoate
CID 79471366
ethyl 2-(2-methyl-1,2,4-triazol-3-yl)propanoate
CID 79472097
(1R)-1-(2-methyl-1,2,4-triazol-3-yl)pentan-1-ol
CID 70043029
(5-methylthiophen-2-yl)-(2-methyl-1,2,4-triazol-3-yl)methanamine
CID 130530350
(2-bromophenyl)-(2-methyl-1,2,4-triazol-3-yl)methanamine
CID 115049664
2-(dimethylamino)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propan-1-ol
CID 130529651
3-amino-1-(2-methyl-1,2,4-triazol-3-yl)butan-2-one
CID 116551792

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1-(2-methyl-1,2,4-triazol-3-yl)butan-1-amine?
The IUPAC name of 2,3-dimethyl-1-(2-methyl-1,2,4-triazol-3-yl)butan-1-amine (CID 130530383) is 2,3-dimethyl-1-(2-methyl-1,2,4-triazol-3-yl)butan-1-amine.
What is the SMILES notation for 2,3-dimethyl-1-(2-methyl-1,2,4-triazol-3-yl)butan-1-amine?
The canonical SMILES for 2,3-dimethyl-1-(2-methyl-1,2,4-triazol-3-yl)butan-1-amine is CC(C)C(C)C(N)c1ncnn1C.
What is the InChIKey of 2,3-dimethyl-1-(2-methyl-1,2,4-triazol-3-yl)butan-1-amine?
The InChIKey is HOIBMPCWJSNILJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4/c1-6(2)7(3)8(10)9-11-5-12-13(9)4/h5-8H,10H2,1-4H3.
What are the key properties of 2,3-dimethyl-1-(2-methyl-1,2,4-triazol-3-yl)butan-1-amine?
2,3-dimethyl-1-(2-methyl-1,2,4-triazol-3-yl)butan-1-amine has a molecular weight of 182.27 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1-(2-methyl-1,2,4-triazol-3-yl)butan-1-amine is sourced from PubChem (CID 130530383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).