1-[1-(1H-1,2,4-triazol-5-yl)piperidin-4-yl]ethanamine

C9H17N5 — CID 102799267

IUPAC1-[1-(1H-1,2,4-triazol-5-yl)piperidin-4-yl]ethanamine
SMILESCC(N)C1CCN(c2ncn[nH]2)CC1
InChIInChI=1S/C9H17N5/c1-7(10)8-2-4-14(5-3-8)9-11-6-12-13-9/h6-8H,2-5,10H2,1H3,(H,11,12,13)
InChIKeyAMVVOSGTTQJNDI-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.37
Rot. Bonds2

About 1-[1-(1H-1,2,4-triazol-5-yl)piperidin-4-yl]ethanamine

1-[1-(1H-1,2,4-triazol-5-yl)piperidin-4-yl]ethanamine (PubChem CID 102799267) has the molecular formula C9H17N5 and a molecular weight of 195.27 g/mol. Its IUPAC name is 1-[1-(1H-1,2,4-triazol-5-yl)piperidin-4-yl]ethanamine.

Molecular Properties

Compound Name1-[1-(1H-1,2,4-triazol-5-yl)piperidin-4-yl]ethanamine
PubChem CID102799267
Molecular FormulaC9H17N5
Molecular Weight195.27 g/mol
Exact Mass195.15
IUPAC Name1-[1-(1H-1,2,4-triazol-5-yl)piperidin-4-yl]ethanamine
SMILESCC(N)C1CCN(c2ncn[nH]2)CC1
InChIInChI=1S/C9H17N5/c1-7(10)8-2-4-14(5-3-8)9-11-6-12-13-9/h6-8H,2-5,10H2,1H3,(H,11,12,13)
InChIKeyAMVVOSGTTQJNDI-UHFFFAOYSA-N
XLogP0.37
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(1H-1,2,4-triazol-5-yl)piperidin-4-yl]ethanamine?
The IUPAC name of 1-[1-(1H-1,2,4-triazol-5-yl)piperidin-4-yl]ethanamine (CID 102799267) is 1-[1-(1H-1,2,4-triazol-5-yl)piperidin-4-yl]ethanamine.
What is the SMILES notation for 1-[1-(1H-1,2,4-triazol-5-yl)piperidin-4-yl]ethanamine?
The canonical SMILES for 1-[1-(1H-1,2,4-triazol-5-yl)piperidin-4-yl]ethanamine is CC(N)C1CCN(c2ncn[nH]2)CC1.
What is the InChIKey of 1-[1-(1H-1,2,4-triazol-5-yl)piperidin-4-yl]ethanamine?
The InChIKey is AMVVOSGTTQJNDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5/c1-7(10)8-2-4-14(5-3-8)9-11-6-12-13-9/h6-8H,2-5,10H2,1H3,(H,11,12,13).
What are the key properties of 1-[1-(1H-1,2,4-triazol-5-yl)piperidin-4-yl]ethanamine?
1-[1-(1H-1,2,4-triazol-5-yl)piperidin-4-yl]ethanamine has a molecular weight of 195.27 g/mol, XLogP of 0.37, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1H-1,2,4-triazol-5-yl)piperidin-4-yl]ethanamine is sourced from PubChem (CID 102799267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).