3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpropan-1-amine

C8H16N4 — CID 61345503

IUPAC3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpropan-1-amine
SMILESCc1nc(C)n(CC(C)CN)n1
InChIInChI=1S/C8H16N4/c1-6(4-9)5-12-8(3)10-7(2)11-12/h6H,4-5,9H2,1-3H3
InChIKeyAGINZRCTHKQCHD-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.49
Rot. Bonds3

About 3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpropan-1-amine

3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpropan-1-amine (PubChem CID 61345503) has the molecular formula C8H16N4 and a molecular weight of 168.24 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpropan-1-amine
PubChem CID61345503
Molecular FormulaC8H16N4
Molecular Weight168.24 g/mol
Exact Mass168.14
IUPAC Name3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpropan-1-amine
SMILESCc1nc(C)n(CC(C)CN)n1
InChIInChI=1S/C8H16N4/c1-6(4-9)5-12-8(3)10-7(2)11-12/h6H,4-5,9H2,1-3H3
InChIKeyAGINZRCTHKQCHD-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpropan-1-amine?
The IUPAC name of 3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpropan-1-amine (CID 61345503) is 3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpropan-1-amine.
What is the SMILES notation for 3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpropan-1-amine?
The canonical SMILES for 3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpropan-1-amine is Cc1nc(C)n(CC(C)CN)n1.
What is the InChIKey of 3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpropan-1-amine?
The InChIKey is AGINZRCTHKQCHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4/c1-6(4-9)5-12-8(3)10-7(2)11-12/h6H,4-5,9H2,1-3H3.
What are the key properties of 3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpropan-1-amine?
3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpropan-1-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 3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpropan-1-amine is sourced from PubChem (CID 61345503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).