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

C13H23N5O — CID 103556060

IUPAC1-[5-[(1-methoxycyclobutyl)methyl]-1H-1,2,4-triazol-3-yl]piperidin-4-amine
SMILESCOC1(Cc2nc(N3CCC(N)CC3)n[nH]2)CCC1
InChIInChI=1S/C13H23N5O/c1-19-13(5-2-6-13)9-11-15-12(17-16-11)18-7-3-10(14)4-8-18/h10H,2-9,14H2,1H3,(H,15,16,17)
InChIKeyNSWNEBAVDZYENK-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.84
Rot. Bonds4

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

1-[5-[(1-methoxycyclobutyl)methyl]-1H-1,2,4-triazol-3-yl]piperidin-4-amine (PubChem CID 103556060) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-[5-[(1-methoxycyclobutyl)methyl]-1H-1,2,4-triazol-3-yl]piperidin-4-amine.

Molecular Properties

Compound Name1-[5-[(1-methoxycyclobutyl)methyl]-1H-1,2,4-triazol-3-yl]piperidin-4-amine
PubChem CID103556060
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name1-[5-[(1-methoxycyclobutyl)methyl]-1H-1,2,4-triazol-3-yl]piperidin-4-amine
SMILESCOC1(Cc2nc(N3CCC(N)CC3)n[nH]2)CCC1
InChIInChI=1S/C13H23N5O/c1-19-13(5-2-6-13)9-11-15-12(17-16-11)18-7-3-10(14)4-8-18/h10H,2-9,14H2,1H3,(H,15,16,17)
InChIKeyNSWNEBAVDZYENK-UHFFFAOYSA-N
XLogP0.84
TPSA80.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

[1-[5-[(1-methoxycyclobutyl)methyl]-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine
CID 103556069
[1-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-4-yl]methanamine
CID 102800666
N-[[1-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-4-yl]methyl]ethanamine
CID 102799345
1-[5-[(2-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl]piperidin-4-amine
CID 102793818
1-[1-[5-(cyclobutylmethyl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]-N-methylmethanamine
CID 103162652
1-(5-pentyl-1H-1,2,4-triazol-3-yl)pyrrolidin-3-amine
CID 102793292
1-[5-(pyridin-3-ylmethyl)-1H-1,2,4-triazol-3-yl]piperidin-4-amine
CID 102793886
2-[3-(4-methylpiperidin-1-yl)-1H-1,2,4-triazol-5-yl]ethanamine
CID 83884650
[1-[5-(cyclohexylmethyl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine
CID 102800744
2-[3-(4-aminopiperidin-1-yl)-1H-1,2,4-triazol-5-yl]-2-methylpropan-1-ol
CID 102793826
1-[1-[5-(3-methoxybutyl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]-N-methylmethanamine
CID 102800233
4-[3-(3-aminopyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl]butan-1-ol
CID 102793313

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(1-methoxycyclobutyl)methyl]-1H-1,2,4-triazol-3-yl]piperidin-4-amine?
The IUPAC name of 1-[5-[(1-methoxycyclobutyl)methyl]-1H-1,2,4-triazol-3-yl]piperidin-4-amine (CID 103556060) is 1-[5-[(1-methoxycyclobutyl)methyl]-1H-1,2,4-triazol-3-yl]piperidin-4-amine.
What is the SMILES notation for 1-[5-[(1-methoxycyclobutyl)methyl]-1H-1,2,4-triazol-3-yl]piperidin-4-amine?
The canonical SMILES for 1-[5-[(1-methoxycyclobutyl)methyl]-1H-1,2,4-triazol-3-yl]piperidin-4-amine is COC1(Cc2nc(N3CCC(N)CC3)n[nH]2)CCC1.
What is the InChIKey of 1-[5-[(1-methoxycyclobutyl)methyl]-1H-1,2,4-triazol-3-yl]piperidin-4-amine?
The InChIKey is NSWNEBAVDZYENK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-19-13(5-2-6-13)9-11-15-12(17-16-11)18-7-3-10(14)4-8-18/h10H,2-9,14H2,1H3,(H,15,16,17).
What are the key properties of 1-[5-[(1-methoxycyclobutyl)methyl]-1H-1,2,4-triazol-3-yl]piperidin-4-amine?
1-[5-[(1-methoxycyclobutyl)methyl]-1H-1,2,4-triazol-3-yl]piperidin-4-amine has a molecular weight of 265.36 g/mol, XLogP of 0.84, 4 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-4-amine is sourced from PubChem (CID 103556060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).