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

C14H25N5O — CID 102800962

IUPAC[4-methyl-1-[5-(oxan-4-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine
SMILESCC1(CN)CCN(c2n[nH]c(C3CCOCC3)n2)CC1
InChIInChI=1S/C14H25N5O/c1-14(10-15)4-6-19(7-5-14)13-16-12(17-18-13)11-2-8-20-9-3-11/h11H,2-10,15H2,1H3,(H,16,17,18)
InChIKeyKGWFDAVJVXXDIR-UHFFFAOYSA-N
MW279.39 g/mol
LogP1.26
Rot. Bonds3

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

[4-methyl-1-[5-(oxan-4-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine (PubChem CID 102800962) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is [4-methyl-1-[5-(oxan-4-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine.

Molecular Properties

Compound Name[4-methyl-1-[5-(oxan-4-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine
PubChem CID102800962
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC Name[4-methyl-1-[5-(oxan-4-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine
SMILESCC1(CN)CCN(c2n[nH]c(C3CCOCC3)n2)CC1
InChIInChI=1S/C14H25N5O/c1-14(10-15)4-6-19(7-5-14)13-16-12(17-18-13)11-2-8-20-9-3-11/h11H,2-10,15H2,1H3,(H,16,17,18)
InChIKeyKGWFDAVJVXXDIR-UHFFFAOYSA-N
XLogP1.26
TPSA80.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

[1-(5-cycloheptyl-1H-1,2,4-triazol-3-yl)-4-methylpiperidin-4-yl]methanamine
CID 102800850
[3-methyl-1-[5-(5-methyloxolan-3-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine
CID 102799449
[3-methyl-1-[5-(5-methyloxolan-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine
CID 102799581
[1-(5-hexyl-1H-1,2,4-triazol-3-yl)-4-methylpiperidin-4-yl]methanamine
CID 102800942
[4-methyl-1-[5-(2-pyrrolidin-1-ylethyl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine
CID 102800983
[4-methyl-1-[5-(1,3-thiazol-4-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine
CID 102800824
[4-methyl-1-[5-(6-methyl-2-pyridinyl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine
CID 102800830
[1-[5-(4-ethylthiadiazol-5-yl)-1H-1,2,4-triazol-3-yl]-4-methylpiperidin-4-yl]methanamine
CID 136836621
1-[1-(5-cycloheptyl-1H-1,2,4-triazol-3-yl)piperidin-4-yl]ethanamine
CID 102799146
[1-[5-(3-chloro-4-pyridinyl)-1H-1,2,4-triazol-3-yl]-4-methylpiperidin-4-yl]methanamine
CID 102800974
[1-[5-(5-bromo-4-methylthiophen-2-yl)-1H-1,2,4-triazol-3-yl]-4-methylpiperidin-4-yl]methanamine
CID 102800873
[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-methylpiperidin-4-yl]methanamine
CID 107160419

Frequently Asked Questions

What is the IUPAC name of [4-methyl-1-[5-(oxan-4-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine?
The IUPAC name of [4-methyl-1-[5-(oxan-4-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine (CID 102800962) is [4-methyl-1-[5-(oxan-4-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine.
What is the SMILES notation for [4-methyl-1-[5-(oxan-4-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine?
The canonical SMILES for [4-methyl-1-[5-(oxan-4-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine is CC1(CN)CCN(c2n[nH]c(C3CCOCC3)n2)CC1.
What is the InChIKey of [4-methyl-1-[5-(oxan-4-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine?
The InChIKey is KGWFDAVJVXXDIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-14(10-15)4-6-19(7-5-14)13-16-12(17-18-13)11-2-8-20-9-3-11/h11H,2-10,15H2,1H3,(H,16,17,18).
What are the key properties of [4-methyl-1-[5-(oxan-4-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine?
[4-methyl-1-[5-(oxan-4-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine has a molecular weight of 279.39 g/mol, XLogP of 1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-1-[5-(oxan-4-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine is sourced from PubChem (CID 102800962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).