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

C8H16N4 — CID 122630481

IUPAC(2R)-2-methyl-1-(4-methyl-1,2,4-triazol-3-yl)butan-2-amine
SMILESCC[C@@](C)(N)Cc1nncn1C
InChIInChI=1S/C8H16N4/c1-4-8(2,9)5-7-11-10-6-12(7)3/h6H,4-5,9H2,1-3H3/t8-/m1/s1
InChIKeyWTIJZXCEMXEACV-MRVPVSSYSA-N
MW168.24 g/mol
LogP0.49
Rot. Bonds3

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

(2R)-2-methyl-1-(4-methyl-1,2,4-triazol-3-yl)butan-2-amine (PubChem CID 122630481) has the molecular formula C8H16N4 and a molecular weight of 168.24 g/mol. Its IUPAC name is (2R)-2-methyl-1-(4-methyl-1,2,4-triazol-3-yl)butan-2-amine.

Molecular Properties

Compound Name(2R)-2-methyl-1-(4-methyl-1,2,4-triazol-3-yl)butan-2-amine
PubChem CID122630481
Molecular FormulaC8H16N4
Molecular Weight168.24 g/mol
Exact Mass168.14
IUPAC Name(2R)-2-methyl-1-(4-methyl-1,2,4-triazol-3-yl)butan-2-amine
SMILESCC[C@@](C)(N)Cc1nncn1C
InChIInChI=1S/C8H16N4/c1-4-8(2,9)5-7-11-10-6-12(7)3/h6H,4-5,9H2,1-3H3/t8-/m1/s1
InChIKeyWTIJZXCEMXEACV-MRVPVSSYSA-N
XLogP0.49
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 ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methyl-1,2,4-triazol-3-yl)methylhydrazine
CID 130979305
2-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pentan-2-amine
CID 115600934
2-(4-methyl-1,2,4-triazol-3-yl)propan-2-amine
CID 62693883
2-[(4-methyl-1,2,4-triazol-3-yl)methyl]butan-1-amine
CID 81072054
N'-[(4-methyl-1,2,4-triazol-3-yl)methyl]propanimidamide
CID 63177133
2-methyl-1-[(4-methyl-1,2,4-triazol-3-yl)methylamino]propan-2-ol
CID 62117507
2-methyl-1-[methyl-[(4-methyl-1,2,4-triazol-3-yl)methyl]amino]propan-2-ol
CID 78964774
2-ethyl-2-(4-methyl-1,2,4-triazol-3-yl)butan-1-amine
CID 115431380
aniline;3-(2-ethylbutyl)-4-methyl-1,2,4-triazole
CID 178119125
2-methyl-4-(4-propyl-1,2,4-triazol-3-yl)butan-2-amine
CID 62694477
1-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclopentan-1-amine
CID 64670724
4-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3-thiazol-2-amine
CID 63330580

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-1-(4-methyl-1,2,4-triazol-3-yl)butan-2-amine?
The IUPAC name of (2R)-2-methyl-1-(4-methyl-1,2,4-triazol-3-yl)butan-2-amine (CID 122630481) is (2R)-2-methyl-1-(4-methyl-1,2,4-triazol-3-yl)butan-2-amine.
What is the SMILES notation for (2R)-2-methyl-1-(4-methyl-1,2,4-triazol-3-yl)butan-2-amine?
The canonical SMILES for (2R)-2-methyl-1-(4-methyl-1,2,4-triazol-3-yl)butan-2-amine is CC[C@@](C)(N)Cc1nncn1C.
What is the InChIKey of (2R)-2-methyl-1-(4-methyl-1,2,4-triazol-3-yl)butan-2-amine?
The InChIKey is WTIJZXCEMXEACV-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H16N4/c1-4-8(2,9)5-7-11-10-6-12(7)3/h6H,4-5,9H2,1-3H3/t8-/m1/s1.
What are the key properties of (2R)-2-methyl-1-(4-methyl-1,2,4-triazol-3-yl)butan-2-amine?
(2R)-2-methyl-1-(4-methyl-1,2,4-triazol-3-yl)butan-2-amine has a molecular weight of 168.24 g/mol, XLogP of 0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-1-(4-methyl-1,2,4-triazol-3-yl)butan-2-amine is sourced from PubChem (CID 122630481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).