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

C13H25N5 — CID 102800780

IUPAC[1-(5-pentan-3-yl-1H-1,2,4-triazol-3-yl)piperidin-4-yl]methanamine
SMILESCCC(CC)c1nc(N2CCC(CN)CC2)n[nH]1
InChIInChI=1S/C13H25N5/c1-3-11(4-2)12-15-13(17-16-12)18-7-5-10(9-14)6-8-18/h10-11H,3-9,14H2,1-2H3,(H,15,16,17)
InChIKeySRGNLPDWRCYFLE-UHFFFAOYSA-N
MW251.38 g/mol
LogP1.88
Rot. Bonds5

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

[1-(5-pentan-3-yl-1H-1,2,4-triazol-3-yl)piperidin-4-yl]methanamine (PubChem CID 102800780) has the molecular formula C13H25N5 and a molecular weight of 251.38 g/mol. Its IUPAC name is [1-(5-pentan-3-yl-1H-1,2,4-triazol-3-yl)piperidin-4-yl]methanamine.

Molecular Properties

Compound Name[1-(5-pentan-3-yl-1H-1,2,4-triazol-3-yl)piperidin-4-yl]methanamine
PubChem CID102800780
Molecular FormulaC13H25N5
Molecular Weight251.38 g/mol
Exact Mass251.21
IUPAC Name[1-(5-pentan-3-yl-1H-1,2,4-triazol-3-yl)piperidin-4-yl]methanamine
SMILESCCC(CC)c1nc(N2CCC(CN)CC2)n[nH]1
InChIInChI=1S/C13H25N5/c1-3-11(4-2)12-15-13(17-16-12)18-7-5-10(9-14)6-8-18/h10-11H,3-9,14H2,1-2H3,(H,15,16,17)
InChIKeySRGNLPDWRCYFLE-UHFFFAOYSA-N
XLogP1.88
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.38
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(5-pentan-3-yl-1H-1,2,4-triazol-3-yl)piperidin-4-yl]methanamine?
The IUPAC name of [1-(5-pentan-3-yl-1H-1,2,4-triazol-3-yl)piperidin-4-yl]methanamine (CID 102800780) is [1-(5-pentan-3-yl-1H-1,2,4-triazol-3-yl)piperidin-4-yl]methanamine.
What is the SMILES notation for [1-(5-pentan-3-yl-1H-1,2,4-triazol-3-yl)piperidin-4-yl]methanamine?
The canonical SMILES for [1-(5-pentan-3-yl-1H-1,2,4-triazol-3-yl)piperidin-4-yl]methanamine is CCC(CC)c1nc(N2CCC(CN)CC2)n[nH]1.
What is the InChIKey of [1-(5-pentan-3-yl-1H-1,2,4-triazol-3-yl)piperidin-4-yl]methanamine?
The InChIKey is SRGNLPDWRCYFLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5/c1-3-11(4-2)12-15-13(17-16-12)18-7-5-10(9-14)6-8-18/h10-11H,3-9,14H2,1-2H3,(H,15,16,17).
What are the key properties of [1-(5-pentan-3-yl-1H-1,2,4-triazol-3-yl)piperidin-4-yl]methanamine?
[1-(5-pentan-3-yl-1H-1,2,4-triazol-3-yl)piperidin-4-yl]methanamine has a molecular weight of 251.38 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-pentan-3-yl-1H-1,2,4-triazol-3-yl)piperidin-4-yl]methanamine is sourced from PubChem (CID 102800780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).