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

C12H22N4 — CID 81011154

IUPAC[2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]cyclobutyl]methanamine
SMILESCC(C)Cn1ncnc1CC1CCC1CN
InChIInChI=1S/C12H22N4/c1-9(2)7-16-12(14-8-15-16)5-10-3-4-11(10)6-13/h8-11H,3-7,13H2,1-2H3
InChIKeyPHOTVDUDNISSDA-UHFFFAOYSA-N
MW222.34 g/mol
LogP1.46
Rot. Bonds5

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

[2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]cyclobutyl]methanamine (PubChem CID 81011154) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is [2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]cyclobutyl]methanamine.

Molecular Properties

Compound Name[2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]cyclobutyl]methanamine
PubChem CID81011154
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name[2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]cyclobutyl]methanamine
SMILESCC(C)Cn1ncnc1CC1CCC1CN
InChIInChI=1S/C12H22N4/c1-9(2)7-16-12(14-8-15-16)5-10-3-4-11(10)6-13/h8-11H,3-7,13H2,1-2H3
InChIKeyPHOTVDUDNISSDA-UHFFFAOYSA-N
XLogP1.46
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

[2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]methanamine
CID 81011017
[2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]cycloheptyl]methanamine
CID 81010403
[4-ethyl-2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]methanamine
CID 81012981
[2-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]methanamine
CID 81010248
2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methoxy]cyclohexan-1-amine
CID 113395337
5-(2,2-dimethylpropyl)-1-(2-methylpropyl)-1,2,4-triazole
CID 58157944
1-amino-2-methyl-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-2-ol
CID 66038636
[2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4,4-dimethylcyclohexyl]methanamine
CID 81012067
[1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]cyclooctyl]methanamine
CID 80602977
1-[5-(aminomethyl)oxolan-2-yl]-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanone
CID 116589311
[1-(2-methylcyclopropyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]hydrazine
CID 105234905
1-cyclohexyl-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-2-amine
CID 104999912

Frequently Asked Questions

What is the IUPAC name of [2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]cyclobutyl]methanamine?
The IUPAC name of [2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]cyclobutyl]methanamine (CID 81011154) is [2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]cyclobutyl]methanamine.
What is the SMILES notation for [2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]cyclobutyl]methanamine?
The canonical SMILES for [2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]cyclobutyl]methanamine is CC(C)Cn1ncnc1CC1CCC1CN.
What is the InChIKey of [2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]cyclobutyl]methanamine?
The InChIKey is PHOTVDUDNISSDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-9(2)7-16-12(14-8-15-16)5-10-3-4-11(10)6-13/h8-11H,3-7,13H2,1-2H3.
What are the key properties of [2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]cyclobutyl]methanamine?
[2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]cyclobutyl]methanamine has a molecular weight of 222.34 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]cyclobutyl]methanamine is sourced from PubChem (CID 81011154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).