[1-[5-[(1-methoxycyclobutyl)methyl]-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine

C14H25N5O — CID 103556069

IUPAC[1-[5-[(1-methoxycyclobutyl)methyl]-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine
SMILESCOC1(Cc2nc(N3CCCC(CN)C3)n[nH]2)CCC1
InChIInChI=1S/C14H25N5O/c1-20-14(5-3-6-14)8-12-16-13(18-17-12)19-7-2-4-11(9-15)10-19/h11H,2-10,15H2,1H3,(H,16,17,18)
InChIKeyUGQMUFYKISUTMK-UHFFFAOYSA-N
MW279.39 g/mol
LogP1.09
Rot. Bonds5

About [1-[5-[(1-methoxycyclobutyl)methyl]-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine

[1-[5-[(1-methoxycyclobutyl)methyl]-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine (PubChem CID 103556069) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is [1-[5-[(1-methoxycyclobutyl)methyl]-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-[5-[(1-methoxycyclobutyl)methyl]-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine
PubChem CID103556069
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC Name[1-[5-[(1-methoxycyclobutyl)methyl]-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine
SMILESCOC1(Cc2nc(N3CCCC(CN)C3)n[nH]2)CCC1
InChIInChI=1S/C14H25N5O/c1-20-14(5-3-6-14)8-12-16-13(18-17-12)19-7-2-4-11(9-15)10-19/h11H,2-10,15H2,1H3,(H,16,17,18)
InChIKeyUGQMUFYKISUTMK-UHFFFAOYSA-N
XLogP1.09
TPSA80.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [1-[5-[(1-methoxycyclobutyl)methyl]-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine with MolForge

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Related Compounds

1-[5-[(1-methoxycyclobutyl)methyl]-1H-1,2,4-triazol-3-yl]piperidin-4-amine
CID 103556060
[3-[3-(aminomethyl)piperidin-1-yl]-1H-1,2,4-triazol-5-yl]methanol
CID 102799874
[1-[5-[(2-methylpropan-2-yl)oxymethyl]-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine
CID 102799830
[1-[5-(propoxymethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine
CID 114018304
[1-[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine
CID 102800042
[1-[5-(2-methylcyclopropyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine
CID 102799843
[1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine
CID 102799873
[1-(5-heptan-4-yl-1H-1,2,4-triazol-3-yl)piperidin-3-yl]methanamine
CID 102799765
1-[1-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]-N-methylmethanamine
CID 102799675
[1-[5-(3-methylfuran-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine
CID 102799956
[1-[5-(pyridin-3-ylmethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine
CID 102799823
[1-[5-[(3-bromophenyl)methyl]-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine
CID 102799796

Frequently Asked Questions

What is the IUPAC name of [1-[5-[(1-methoxycyclobutyl)methyl]-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine?
The IUPAC name of [1-[5-[(1-methoxycyclobutyl)methyl]-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine (CID 103556069) is [1-[5-[(1-methoxycyclobutyl)methyl]-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine.
What is the SMILES notation for [1-[5-[(1-methoxycyclobutyl)methyl]-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine?
The canonical SMILES for [1-[5-[(1-methoxycyclobutyl)methyl]-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine is COC1(Cc2nc(N3CCCC(CN)C3)n[nH]2)CCC1.
What is the InChIKey of [1-[5-[(1-methoxycyclobutyl)methyl]-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine?
The InChIKey is UGQMUFYKISUTMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-20-14(5-3-6-14)8-12-16-13(18-17-12)19-7-2-4-11(9-15)10-19/h11H,2-10,15H2,1H3,(H,16,17,18).
What are the key properties of [1-[5-[(1-methoxycyclobutyl)methyl]-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine?
[1-[5-[(1-methoxycyclobutyl)methyl]-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine has a molecular weight of 279.39 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-[(1-methoxycyclobutyl)methyl]-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine is sourced from PubChem (CID 103556069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).