5-methyl-4-(triazol-1-yl)piperidin-3-amine

C8H15N5 — CID 144668487

IUPAC5-methyl-4-(triazol-1-yl)piperidin-3-amine
SMILESCC1CNCC(N)C1n1ccnn1
InChIInChI=1S/C8H15N5/c1-6-4-10-5-7(9)8(6)13-3-2-11-12-13/h2-3,6-8,10H,4-5,9H2,1H3
InChIKeyHZHRHFDHYSNTCO-UHFFFAOYSA-N
MW181.24 g/mol
LogP-0.61
Rot. Bonds1

About 5-methyl-4-(triazol-1-yl)piperidin-3-amine

5-methyl-4-(triazol-1-yl)piperidin-3-amine (PubChem CID 144668487) has the molecular formula C8H15N5 and a molecular weight of 181.24 g/mol. Its IUPAC name is 5-methyl-4-(triazol-1-yl)piperidin-3-amine.

Molecular Properties

Compound Name5-methyl-4-(triazol-1-yl)piperidin-3-amine
PubChem CID144668487
Molecular FormulaC8H15N5
Molecular Weight181.24 g/mol
Exact Mass181.13
IUPAC Name5-methyl-4-(triazol-1-yl)piperidin-3-amine
SMILESCC1CNCC(N)C1n1ccnn1
InChIInChI=1S/C8H15N5/c1-6-4-10-5-7(9)8(6)13-3-2-11-12-13/h2-3,6-8,10H,4-5,9H2,1H3
InChIKeyHZHRHFDHYSNTCO-UHFFFAOYSA-N
XLogP-0.61
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(triazol-1-yl)piperidin-3-amine?
The IUPAC name of 5-methyl-4-(triazol-1-yl)piperidin-3-amine (CID 144668487) is 5-methyl-4-(triazol-1-yl)piperidin-3-amine.
What is the SMILES notation for 5-methyl-4-(triazol-1-yl)piperidin-3-amine?
The canonical SMILES for 5-methyl-4-(triazol-1-yl)piperidin-3-amine is CC1CNCC(N)C1n1ccnn1.
What is the InChIKey of 5-methyl-4-(triazol-1-yl)piperidin-3-amine?
The InChIKey is HZHRHFDHYSNTCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5/c1-6-4-10-5-7(9)8(6)13-3-2-11-12-13/h2-3,6-8,10H,4-5,9H2,1H3.
What are the key properties of 5-methyl-4-(triazol-1-yl)piperidin-3-amine?
5-methyl-4-(triazol-1-yl)piperidin-3-amine has a molecular weight of 181.24 g/mol, XLogP of -0.61, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(triazol-1-yl)piperidin-3-amine is sourced from PubChem (CID 144668487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).