4-methyl-1-(5-pentan-3-yl-1H-1,2,4-triazol-3-yl)piperidin-3-amine

C13H25N5 — CID 102799076

IUPAC4-methyl-1-(5-pentan-3-yl-1H-1,2,4-triazol-3-yl)piperidin-3-amine
SMILESCCC(CC)c1nc(N2CCC(C)C(N)C2)n[nH]1
InChIInChI=1S/C13H25N5/c1-4-10(5-2)12-15-13(17-16-12)18-7-6-9(3)11(14)8-18/h9-11H,4-8,14H2,1-3H3,(H,15,16,17)
InChIKeyYHVONNCBPGWRBQ-UHFFFAOYSA-N
MW251.38 g/mol
LogP1.88
Rot. Bonds4

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

4-methyl-1-(5-pentan-3-yl-1H-1,2,4-triazol-3-yl)piperidin-3-amine (PubChem CID 102799076) has the molecular formula C13H25N5 and a molecular weight of 251.38 g/mol. Its IUPAC name is 4-methyl-1-(5-pentan-3-yl-1H-1,2,4-triazol-3-yl)piperidin-3-amine.

Molecular Properties

Compound Name4-methyl-1-(5-pentan-3-yl-1H-1,2,4-triazol-3-yl)piperidin-3-amine
PubChem CID102799076
Molecular FormulaC13H25N5
Molecular Weight251.38 g/mol
Exact Mass251.21
IUPAC Name4-methyl-1-(5-pentan-3-yl-1H-1,2,4-triazol-3-yl)piperidin-3-amine
SMILESCCC(CC)c1nc(N2CCC(C)C(N)C2)n[nH]1
InChIInChI=1S/C13H25N5/c1-4-10(5-2)12-15-13(17-16-12)18-7-6-9(3)11(14)8-18/h9-11H,4-8,14H2,1-3H3,(H,15,16,17)
InChIKeyYHVONNCBPGWRBQ-UHFFFAOYSA-N
XLogP1.88
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
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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Launch Full Analysis

Related Compounds

[1-(5-pentan-3-yl-1H-1,2,4-triazol-3-yl)piperidin-4-yl]methanamine
CID 102800780
4-methyl-1-[5-(methylsulfanylmethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
CID 102799068
1-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-4-methylpiperidin-3-amine
CID 102798903
4-[3-(3-amino-4-methylpiperidin-1-yl)-1H-1,2,4-triazol-5-yl]butan-2-ol
CID 102799088
1-(5-cycloheptyl-1H-1,2,4-triazol-3-yl)-4-methylpiperidin-3-amine
CID 102798873
1-(5-cyclooctyl-1H-1,2,4-triazol-3-yl)-4-methylpiperidin-3-amine
CID 102798989
1-(5-benzyl-1H-1,2,4-triazol-3-yl)-4-methylpiperidin-3-amine
CID 102798984
4-methyl-1-[5-[(3-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl]piperidin-3-amine
CID 102798846
4-methyl-1-[5-(1-methylpyrazol-4-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
CID 102799092
4-methyl-1-[5-(1-methylimidazol-4-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
CID 107971931
1-[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]-4-methylpiperidin-3-amine
CID 102798836
[1-(5-heptan-4-yl-1H-1,2,4-triazol-3-yl)piperidin-3-yl]methanamine
CID 102799765

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(5-pentan-3-yl-1H-1,2,4-triazol-3-yl)piperidin-3-amine?
The IUPAC name of 4-methyl-1-(5-pentan-3-yl-1H-1,2,4-triazol-3-yl)piperidin-3-amine (CID 102799076) is 4-methyl-1-(5-pentan-3-yl-1H-1,2,4-triazol-3-yl)piperidin-3-amine.
What is the SMILES notation for 4-methyl-1-(5-pentan-3-yl-1H-1,2,4-triazol-3-yl)piperidin-3-amine?
The canonical SMILES for 4-methyl-1-(5-pentan-3-yl-1H-1,2,4-triazol-3-yl)piperidin-3-amine is CCC(CC)c1nc(N2CCC(C)C(N)C2)n[nH]1.
What is the InChIKey of 4-methyl-1-(5-pentan-3-yl-1H-1,2,4-triazol-3-yl)piperidin-3-amine?
The InChIKey is YHVONNCBPGWRBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5/c1-4-10(5-2)12-15-13(17-16-12)18-7-6-9(3)11(14)8-18/h9-11H,4-8,14H2,1-3H3,(H,15,16,17).
What are the key properties of 4-methyl-1-(5-pentan-3-yl-1H-1,2,4-triazol-3-yl)piperidin-3-amine?
4-methyl-1-(5-pentan-3-yl-1H-1,2,4-triazol-3-yl)piperidin-3-amine has a molecular weight of 251.38 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(5-pentan-3-yl-1H-1,2,4-triazol-3-yl)piperidin-3-amine is sourced from PubChem (CID 102799076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).