[1-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]methanamine

C12H20N4 — CID 114286728

IUPAC[1-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]methanamine
SMILESCn1nc(C2CC2)nc1CC1(CN)CCC1
InChIInChI=1S/C12H20N4/c1-16-10(7-12(8-13)5-2-6-12)14-11(15-16)9-3-4-9/h9H,2-8,13H2,1H3
InChIKeyOZENZBMESWDZAI-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.36
Rot. Bonds4

About [1-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]methanamine

[1-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]methanamine (PubChem CID 114286728) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is [1-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]methanamine
PubChem CID114286728
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name[1-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]methanamine
SMILESCn1nc(C2CC2)nc1CC1(CN)CCC1
InChIInChI=1S/C12H20N4/c1-16-10(7-12(8-13)5-2-6-12)14-11(15-16)9-3-4-9/h9H,2-8,13H2,1H3
InChIKeyOZENZBMESWDZAI-UHFFFAOYSA-N
XLogP1.36
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]methanamine with MolForge

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Related Compounds

1-[(1S)-2,2-diethylcyclopropyl]-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 164629936
3-Fluoro-3-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]cyclobutan-1-amine
CID 112564159
2-[(2-Ethyl-1,2,4-triazol-3-yl)methyl]-2-fluoro-3,3-dimethylbutan-1-amine
CID 112566582
2-Fluoro-3,3-dimethyl-2-[(2-propyl-1,2,4-triazol-3-yl)methyl]butan-1-amine
CID 112566647
2-Fluoro-3,3-dimethyl-2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]butan-1-amine
CID 112566658
2-Cyclopropyl-2-fluoro-3-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine
CID 112567094
2-Cyclopropyl-3-(2-ethyl-1,2,4-triazol-3-yl)-2-fluoropropan-1-amine
CID 112567210
2-Cyclopropyl-2-fluoro-3-(2-propyl-1,2,4-triazol-3-yl)propan-1-amine
CID 112567277
2-Cyclopropyl-2-fluoro-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-1-amine
CID 112567279
2-Cyclopropyl-2-fluoro-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-1-amine
CID 112567289
2-[(2-Ethyl-1,2,4-triazol-3-yl)methyl]-2-fluoropentan-1-amine
CID 112567829
2-Fluoro-2-[(2-propyl-1,2,4-triazol-3-yl)methyl]pentan-1-amine
CID 112567896

Frequently Asked Questions

What is the IUPAC name of [1-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]methanamine?
The IUPAC name of [1-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]methanamine (CID 114286728) is [1-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]methanamine.
What is the SMILES notation for [1-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]methanamine?
The canonical SMILES for [1-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]methanamine is Cn1nc(C2CC2)nc1CC1(CN)CCC1.
What is the InChIKey of [1-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]methanamine?
The InChIKey is OZENZBMESWDZAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-16-10(7-12(8-13)5-2-6-12)14-11(15-16)9-3-4-9/h9H,2-8,13H2,1H3.
What are the key properties of [1-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]methanamine?
[1-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]methanamine has a molecular weight of 220.32 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]methanamine is sourced from PubChem (CID 114286728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).