[1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]methanamine

C8H14N4 — CID 82597229

IUPAC[1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]methanamine
SMILESCn1cnnc1C1(CN)CCC1
InChIInChI=1S/C8H14N4/c1-12-6-10-11-7(12)8(5-9)3-2-4-8/h6H,2-5,9H2,1H3
InChIKeyWRCDCSREXLSZEV-UHFFFAOYSA-N
MW166.23 g/mol
LogP0.20
Rot. Bonds2

About [1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]methanamine

[1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]methanamine (PubChem CID 82597229) has the molecular formula C8H14N4 and a molecular weight of 166.23 g/mol. Its IUPAC name is [1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]methanamine
PubChem CID82597229
Molecular FormulaC8H14N4
Molecular Weight166.23 g/mol
Exact Mass166.12
IUPAC Name[1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]methanamine
SMILESCn1cnnc1C1(CN)CCC1
InChIInChI=1S/C8H14N4/c1-12-6-10-11-7(12)8(5-9)3-2-4-8/h6H,2-5,9H2,1H3
InChIKeyWRCDCSREXLSZEV-UHFFFAOYSA-N
XLogP0.20
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 ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]methanamine?
The IUPAC name of [1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]methanamine (CID 82597229) is [1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]methanamine.
What is the SMILES notation for [1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]methanamine?
The canonical SMILES for [1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]methanamine is Cn1cnnc1C1(CN)CCC1.
What is the InChIKey of [1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]methanamine?
The InChIKey is WRCDCSREXLSZEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4/c1-12-6-10-11-7(12)8(5-9)3-2-4-8/h6H,2-5,9H2,1H3.
What are the key properties of [1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]methanamine?
[1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]methanamine has a molecular weight of 166.23 g/mol, XLogP of 0.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]methanamine is sourced from PubChem (CID 82597229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).