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

C11H19N5 — CID 102798903

IUPAC1-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-4-methylpiperidin-3-amine
SMILESCC1CCN(c2n[nH]c(C3CC3)n2)CC1N
InChIInChI=1S/C11H19N5/c1-7-4-5-16(6-9(7)12)11-13-10(14-15-11)8-2-3-8/h7-9H,2-6,12H2,1H3,(H,13,14,15)
InChIKeyHHZYJGSYMVOQPF-UHFFFAOYSA-N
MW221.31 g/mol
LogP0.86
Rot. Bonds2

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

1-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-4-methylpiperidin-3-amine (PubChem CID 102798903) has the molecular formula C11H19N5 and a molecular weight of 221.31 g/mol. Its IUPAC name is 1-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-4-methylpiperidin-3-amine.

Molecular Properties

Compound Name1-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-4-methylpiperidin-3-amine
PubChem CID102798903
Molecular FormulaC11H19N5
Molecular Weight221.31 g/mol
Exact Mass221.16
IUPAC Name1-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-4-methylpiperidin-3-amine
SMILESCC1CCN(c2n[nH]c(C3CC3)n2)CC1N
InChIInChI=1S/C11H19N5/c1-7-4-5-16(6-9(7)12)11-13-10(14-15-11)8-2-3-8/h7-9H,2-6,12H2,1H3,(H,13,14,15)
InChIKeyHHZYJGSYMVOQPF-UHFFFAOYSA-N
XLogP0.86
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.31
LogP ≤ 50.86
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-cycloheptyl-1H-1,2,4-triazol-3-yl)-4-methylpiperidin-3-amine
CID 102798873
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
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-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-benzyl-1H-1,2,4-triazol-3-yl)-4-methylpiperidin-3-amine
CID 102798984
(3S)-1-(5-cycloheptyl-1H-1,2,4-triazol-3-yl)-3-methylpiperazine
CID 102797916
1-[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]-4-methylpiperidin-3-amine
CID 102798836
4-methyl-1-[5-(2-methyl-4-pyridinyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
CID 106752830

Frequently Asked Questions

What is the IUPAC name of 1-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-4-methylpiperidin-3-amine?
The IUPAC name of 1-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-4-methylpiperidin-3-amine (CID 102798903) is 1-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-4-methylpiperidin-3-amine.
What is the SMILES notation for 1-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-4-methylpiperidin-3-amine?
The canonical SMILES for 1-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-4-methylpiperidin-3-amine is CC1CCN(c2n[nH]c(C3CC3)n2)CC1N.
What is the InChIKey of 1-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-4-methylpiperidin-3-amine?
The InChIKey is HHZYJGSYMVOQPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5/c1-7-4-5-16(6-9(7)12)11-13-10(14-15-11)8-2-3-8/h7-9H,2-6,12H2,1H3,(H,13,14,15).
What are the key properties of 1-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-4-methylpiperidin-3-amine?
1-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-4-methylpiperidin-3-amine has a molecular weight of 221.31 g/mol, XLogP of 0.86, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-4-methylpiperidin-3-amine is sourced from PubChem (CID 102798903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).