2-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-amine

C8H14N4 — CID 81014034

IUPAC2-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-amine
SMILESCn1ncnc1CC1CCC1N
InChIInChI=1S/C8H14N4/c1-12-8(10-5-11-12)4-6-2-3-7(6)9/h5-7H,2-4,9H2,1H3
InChIKeySCZDWRHBPLRNPU-UHFFFAOYSA-N
MW166.23 g/mol
LogP0.09
Rot. Bonds2

About 2-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-amine

2-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-amine (PubChem CID 81014034) has the molecular formula C8H14N4 and a molecular weight of 166.23 g/mol. Its IUPAC name is 2-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name2-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-amine
PubChem CID81014034
Molecular FormulaC8H14N4
Molecular Weight166.23 g/mol
Exact Mass166.12
IUPAC Name2-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-amine
SMILESCn1ncnc1CC1CCC1N
InChIInChI=1S/C8H14N4/c1-12-8(10-5-11-12)4-6-2-3-7(6)9/h5-7H,2-4,9H2,1H3
InChIKeySCZDWRHBPLRNPU-UHFFFAOYSA-N
XLogP0.09
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.23
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-amine?
The IUPAC name of 2-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-amine (CID 81014034) is 2-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-amine.
What is the SMILES notation for 2-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-amine?
The canonical SMILES for 2-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-amine is Cn1ncnc1CC1CCC1N.
What is the InChIKey of 2-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-amine?
The InChIKey is SCZDWRHBPLRNPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4/c1-12-8(10-5-11-12)4-6-2-3-7(6)9/h5-7H,2-4,9H2,1H3.
What are the key properties of 2-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-amine?
2-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-amine has a molecular weight of 166.23 g/mol, XLogP of 0.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 81014034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).