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

C14H25N5O — CID 102799449

IUPAC[3-methyl-1-[5-(5-methyloxolan-3-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine
SMILESCC1CC(c2nc(N3CCCC(C)(CN)C3)n[nH]2)CO1
InChIInChI=1S/C14H25N5O/c1-10-6-11(7-20-10)12-16-13(18-17-12)19-5-3-4-14(2,8-15)9-19/h10-11H,3-9,15H2,1-2H3,(H,16,17,18)
InChIKeyLEQVPZPUWBPZJG-UHFFFAOYSA-N
MW279.39 g/mol
LogP1.26
Rot. Bonds3

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

[3-methyl-1-[5-(5-methyloxolan-3-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine (PubChem CID 102799449) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is [3-methyl-1-[5-(5-methyloxolan-3-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine.

Molecular Properties

Compound Name[3-methyl-1-[5-(5-methyloxolan-3-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine
PubChem CID102799449
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC Name[3-methyl-1-[5-(5-methyloxolan-3-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine
SMILESCC1CC(c2nc(N3CCCC(C)(CN)C3)n[nH]2)CO1
InChIInChI=1S/C14H25N5O/c1-10-6-11(7-20-10)12-16-13(18-17-12)19-5-3-4-14(2,8-15)9-19/h10-11H,3-9,15H2,1-2H3,(H,16,17,18)
InChIKeyLEQVPZPUWBPZJG-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

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Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-[5-(5-methyloxolan-3-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine?
The IUPAC name of [3-methyl-1-[5-(5-methyloxolan-3-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine (CID 102799449) is [3-methyl-1-[5-(5-methyloxolan-3-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine.
What is the SMILES notation for [3-methyl-1-[5-(5-methyloxolan-3-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine?
The canonical SMILES for [3-methyl-1-[5-(5-methyloxolan-3-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine is CC1CC(c2nc(N3CCCC(C)(CN)C3)n[nH]2)CO1.
What is the InChIKey of [3-methyl-1-[5-(5-methyloxolan-3-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine?
The InChIKey is LEQVPZPUWBPZJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-10-6-11(7-20-10)12-16-13(18-17-12)19-5-3-4-14(2,8-15)9-19/h10-11H,3-9,15H2,1-2H3,(H,16,17,18).
What are the key properties of [3-methyl-1-[5-(5-methyloxolan-3-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine?
[3-methyl-1-[5-(5-methyloxolan-3-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-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 [3-methyl-1-[5-(5-methyloxolan-3-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]methanamine is sourced from PubChem (CID 102799449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).