1-(5-cycloheptyl-1H-1,2,4-triazol-3-yl)-4-methylpiperidin-3-amine

C15H27N5 — CID 102798873

IUPAC1-(5-cycloheptyl-1H-1,2,4-triazol-3-yl)-4-methylpiperidin-3-amine
SMILESCC1CCN(c2n[nH]c(C3CCCCCC3)n2)CC1N
InChIInChI=1S/C15H27N5/c1-11-8-9-20(10-13(11)16)15-17-14(18-19-15)12-6-4-2-3-5-7-12/h11-13H,2-10,16H2,1H3,(H,17,18,19)
InChIKeyZCKGPSDHJATNPT-UHFFFAOYSA-N
MW277.42 g/mol
LogP2.42
Rot. Bonds2

About 1-(5-cycloheptyl-1H-1,2,4-triazol-3-yl)-4-methylpiperidin-3-amine

1-(5-cycloheptyl-1H-1,2,4-triazol-3-yl)-4-methylpiperidin-3-amine (PubChem CID 102798873) has the molecular formula C15H27N5 and a molecular weight of 277.42 g/mol. Its IUPAC name is 1-(5-cycloheptyl-1H-1,2,4-triazol-3-yl)-4-methylpiperidin-3-amine.

Molecular Properties

Compound Name1-(5-cycloheptyl-1H-1,2,4-triazol-3-yl)-4-methylpiperidin-3-amine
PubChem CID102798873
Molecular FormulaC15H27N5
Molecular Weight277.42 g/mol
Exact Mass277.23
IUPAC Name1-(5-cycloheptyl-1H-1,2,4-triazol-3-yl)-4-methylpiperidin-3-amine
SMILESCC1CCN(c2n[nH]c(C3CCCCCC3)n2)CC1N
InChIInChI=1S/C15H27N5/c1-11-8-9-20(10-13(11)16)15-17-14(18-19-15)12-6-4-2-3-5-7-12/h11-13H,2-10,16H2,1H3,(H,17,18,19)
InChIKeyZCKGPSDHJATNPT-UHFFFAOYSA-N
XLogP2.42
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.42
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-cyclooctyl-1H-1,2,4-triazol-3-yl)-4-methylpiperidin-3-amine
CID 102798989
1-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-4-methylpiperidin-3-amine
CID 102798903
(3S)-1-(5-cycloheptyl-1H-1,2,4-triazol-3-yl)-3-methylpiperazine
CID 102797916
1-(5-cycloheptyl-1H-1,2,4-triazol-3-yl)-3,5-dimethylpiperazine
CID 102797265
1-(5-cycloheptyl-1H-1,2,4-triazol-3-yl)-2-methylpiperidin-3-amine
CID 102798588
1-[1-(5-cycloheptyl-1H-1,2,4-triazol-3-yl)piperidin-4-yl]ethanamine
CID 102799146
1-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-3-amine
CID 102794256
4-methyl-1-[5-(methylsulfanylmethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
CID 102799068
4-methyl-1-(5-pentan-3-yl-1H-1,2,4-triazol-3-yl)piperidin-3-amine
CID 102799076
[1-(5-cycloheptyl-1H-1,2,4-triazol-3-yl)-4-methylpiperidin-4-yl]methanamine
CID 102800850
4-[3-(3-amino-4-methylpiperidin-1-yl)-1H-1,2,4-triazol-5-yl]butan-2-ol
CID 102799088
4-methyl-1-[5-(1-methylimidazol-4-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
CID 107971931

Frequently Asked Questions

What is the IUPAC name of 1-(5-cycloheptyl-1H-1,2,4-triazol-3-yl)-4-methylpiperidin-3-amine?
The IUPAC name of 1-(5-cycloheptyl-1H-1,2,4-triazol-3-yl)-4-methylpiperidin-3-amine (CID 102798873) is 1-(5-cycloheptyl-1H-1,2,4-triazol-3-yl)-4-methylpiperidin-3-amine.
What is the SMILES notation for 1-(5-cycloheptyl-1H-1,2,4-triazol-3-yl)-4-methylpiperidin-3-amine?
The canonical SMILES for 1-(5-cycloheptyl-1H-1,2,4-triazol-3-yl)-4-methylpiperidin-3-amine is CC1CCN(c2n[nH]c(C3CCCCCC3)n2)CC1N.
What is the InChIKey of 1-(5-cycloheptyl-1H-1,2,4-triazol-3-yl)-4-methylpiperidin-3-amine?
The InChIKey is ZCKGPSDHJATNPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5/c1-11-8-9-20(10-13(11)16)15-17-14(18-19-15)12-6-4-2-3-5-7-12/h11-13H,2-10,16H2,1H3,(H,17,18,19).
What are the key properties of 1-(5-cycloheptyl-1H-1,2,4-triazol-3-yl)-4-methylpiperidin-3-amine?
1-(5-cycloheptyl-1H-1,2,4-triazol-3-yl)-4-methylpiperidin-3-amine has a molecular weight of 277.42 g/mol, XLogP of 2.42, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cycloheptyl-1H-1,2,4-triazol-3-yl)-4-methylpiperidin-3-amine is sourced from PubChem (CID 102798873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).