[1-(1H-1,2,4-triazol-5-ylmethyl)cyclobutyl]methanamine

C8H14N4 — CID 81167530

IUPAC[1-(1H-1,2,4-triazol-5-ylmethyl)cyclobutyl]methanamine
SMILESNCC1(Cc2ncn[nH]2)CCC1
InChIInChI=1S/C8H14N4/c9-5-8(2-1-3-8)4-7-10-6-11-12-7/h6H,1-5,9H2,(H,10,11,12)
InChIKeyBJSXPKKREIDNDK-UHFFFAOYSA-N
MW166.23 g/mol
LogP0.48
Rot. Bonds3

About [1-(1H-1,2,4-triazol-5-ylmethyl)cyclobutyl]methanamine

[1-(1H-1,2,4-triazol-5-ylmethyl)cyclobutyl]methanamine (PubChem CID 81167530) has the molecular formula C8H14N4 and a molecular weight of 166.23 g/mol. Its IUPAC name is [1-(1H-1,2,4-triazol-5-ylmethyl)cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-(1H-1,2,4-triazol-5-ylmethyl)cyclobutyl]methanamine
PubChem CID81167530
Molecular FormulaC8H14N4
Molecular Weight166.23 g/mol
Exact Mass166.12
IUPAC Name[1-(1H-1,2,4-triazol-5-ylmethyl)cyclobutyl]methanamine
SMILESNCC1(Cc2ncn[nH]2)CCC1
InChIInChI=1S/C8H14N4/c9-5-8(2-1-3-8)4-7-10-6-11-12-7/h6H,1-5,9H2,(H,10,11,12)
InChIKeyBJSXPKKREIDNDK-UHFFFAOYSA-N
XLogP0.48
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.23
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1H-1,2,4-triazol-5-ylmethyl)cyclopropan-1-amine
CID 130987503
1-(1H-1,2,4-triazol-5-ylmethyl)cyclopropan-1-amine;dihydrochloride
CID 139026713
2-[1-(aminomethyl)cyclohexyl]-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 104678292
[1-(1,2,4-oxadiazol-5-ylmethyl)cyclopentyl]methanamine
CID 82503873
[1-(1H-1,2,4-triazol-5-ylsulfanyl)cyclohexyl]methanamine
CID 82508555
[1-(2H-tetrazol-5-ylmethyl)cyclohexyl]methanamine
CID 10176518
3-(1H-1,2,4-triazol-5-ylmethyl)-3-azaspiro[5.5]undecane-2,4-dione
CID 54880588
1-(N'-hydroxycarbamimidoyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]cyclopentane-1-carboxamide
CID 77046330
(1-benzylcycloheptyl)methanamine
CID 65391702
(1-benzylcyclooctyl)methanamine
CID 80602159
1-amino-N-(1H-1,2,4-triazol-5-ylmethyl)cyclopropane-1-carboxamide
CID 65463843
[1-[(5,6-dichloro-1H-benzimidazol-2-yl)methyl]cyclohexyl]methanamine
CID 82000970

Frequently Asked Questions

What is the IUPAC name of [1-(1H-1,2,4-triazol-5-ylmethyl)cyclobutyl]methanamine?
The IUPAC name of [1-(1H-1,2,4-triazol-5-ylmethyl)cyclobutyl]methanamine (CID 81167530) is [1-(1H-1,2,4-triazol-5-ylmethyl)cyclobutyl]methanamine.
What is the SMILES notation for [1-(1H-1,2,4-triazol-5-ylmethyl)cyclobutyl]methanamine?
The canonical SMILES for [1-(1H-1,2,4-triazol-5-ylmethyl)cyclobutyl]methanamine is NCC1(Cc2ncn[nH]2)CCC1.
What is the InChIKey of [1-(1H-1,2,4-triazol-5-ylmethyl)cyclobutyl]methanamine?
The InChIKey is BJSXPKKREIDNDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4/c9-5-8(2-1-3-8)4-7-10-6-11-12-7/h6H,1-5,9H2,(H,10,11,12).
What are the key properties of [1-(1H-1,2,4-triazol-5-ylmethyl)cyclobutyl]methanamine?
[1-(1H-1,2,4-triazol-5-ylmethyl)cyclobutyl]methanamine has a molecular weight of 166.23 g/mol, XLogP of 0.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1H-1,2,4-triazol-5-ylmethyl)cyclobutyl]methanamine is sourced from PubChem (CID 81167530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).