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

C8H16N4 — CID 131162810

IUPAC2-methyl-3-(4-methyl-1,2,4-triazol-3-yl)butan-1-amine
SMILESCC(CN)C(C)c1nncn1C
InChIInChI=1S/C8H16N4/c1-6(4-9)7(2)8-11-10-5-12(8)3/h5-7H,4,9H2,1-3H3
InChIKeyKVGYAXKFDAUUAZ-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.51
Rot. Bonds3

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

2-methyl-3-(4-methyl-1,2,4-triazol-3-yl)butan-1-amine (PubChem CID 131162810) has the molecular formula C8H16N4 and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-methyl-3-(4-methyl-1,2,4-triazol-3-yl)butan-1-amine.

Molecular Properties

Compound Name2-methyl-3-(4-methyl-1,2,4-triazol-3-yl)butan-1-amine
PubChem CID131162810
Molecular FormulaC8H16N4
Molecular Weight168.24 g/mol
Exact Mass168.14
IUPAC Name2-methyl-3-(4-methyl-1,2,4-triazol-3-yl)butan-1-amine
SMILESCC(CN)C(C)c1nncn1C
InChIInChI=1S/C8H16N4/c1-6(4-9)7(2)8-11-10-5-12(8)3/h5-7H,4,9H2,1-3H3
InChIKeyKVGYAXKFDAUUAZ-UHFFFAOYSA-N
XLogP0.51
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methyl-1,2,4-triazol-3-yl)propan-1-amine;dihydrochloride
CID 75493399
2-amino-1-(4-methyl-1,2,4-triazol-3-yl)ethanol
CID 66166308
2-methyl-1-(4-methyl-1,2,4-triazol-3-yl)propan-1-amine
CID 24693648
2-(aminomethyl)-3-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]butanamide
CID 55038246
(2R)-2-amino-2-(4-methyl-1,2,4-triazol-3-yl)ethanol
CID 94552496
2-(4-methyl-1,2,4-triazol-3-yl)-2-pyrrolidin-1-ylethanamine
CID 82400069
3-[(1S,2R)-1,2-difluoropropyl]-4-methyl-1,2,4-triazole
CID 175805725
3-(4-bromopentan-2-yl)-4-methyl-1,2,4-triazole
CID 131021393
1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]tetrazol-5-amine
CID 79506412
2-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pentan-3-amine
CID 43783872
3-(3-propan-2-yl-1,2,4-triazol-4-yl)propan-1-amine
CID 82512111
2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]ethanol
CID 55211655

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(4-methyl-1,2,4-triazol-3-yl)butan-1-amine?
The IUPAC name of 2-methyl-3-(4-methyl-1,2,4-triazol-3-yl)butan-1-amine (CID 131162810) is 2-methyl-3-(4-methyl-1,2,4-triazol-3-yl)butan-1-amine.
What is the SMILES notation for 2-methyl-3-(4-methyl-1,2,4-triazol-3-yl)butan-1-amine?
The canonical SMILES for 2-methyl-3-(4-methyl-1,2,4-triazol-3-yl)butan-1-amine is CC(CN)C(C)c1nncn1C.
What is the InChIKey of 2-methyl-3-(4-methyl-1,2,4-triazol-3-yl)butan-1-amine?
The InChIKey is KVGYAXKFDAUUAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4/c1-6(4-9)7(2)8-11-10-5-12(8)3/h5-7H,4,9H2,1-3H3.
What are the key properties of 2-methyl-3-(4-methyl-1,2,4-triazol-3-yl)butan-1-amine?
2-methyl-3-(4-methyl-1,2,4-triazol-3-yl)butan-1-amine has a molecular weight of 168.24 g/mol, XLogP of 0.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(4-methyl-1,2,4-triazol-3-yl)butan-1-amine is sourced from PubChem (CID 131162810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).