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

C8H15N5 — CID 102800781

IUPAC[1-(1H-1,2,4-triazol-5-yl)piperidin-4-yl]methanamine
SMILESNCC1CCN(c2ncn[nH]2)CC1
InChIInChI=1S/C8H15N5/c9-5-7-1-3-13(4-2-7)8-10-6-11-12-8/h6-7H,1-5,9H2,(H,10,11,12)
InChIKeyWOSGOCOFSQOBLA-UHFFFAOYSA-N
MW181.24 g/mol
LogP-0.02
Rot. Bonds2

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

[1-(1H-1,2,4-triazol-5-yl)piperidin-4-yl]methanamine (PubChem CID 102800781) has the molecular formula C8H15N5 and a molecular weight of 181.24 g/mol. Its IUPAC name is [1-(1H-1,2,4-triazol-5-yl)piperidin-4-yl]methanamine.

Molecular Properties

Compound Name[1-(1H-1,2,4-triazol-5-yl)piperidin-4-yl]methanamine
PubChem CID102800781
Molecular FormulaC8H15N5
Molecular Weight181.24 g/mol
Exact Mass181.13
IUPAC Name[1-(1H-1,2,4-triazol-5-yl)piperidin-4-yl]methanamine
SMILESNCC1CCN(c2ncn[nH]2)CC1
InChIInChI=1S/C8H15N5/c9-5-7-1-3-13(4-2-7)8-10-6-11-12-8/h6-7H,1-5,9H2,(H,10,11,12)
InChIKeyWOSGOCOFSQOBLA-UHFFFAOYSA-N
XLogP-0.02
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(1H-1,2,4-triazol-5-yl)piperidin-4-yl]methanamine?
The IUPAC name of [1-(1H-1,2,4-triazol-5-yl)piperidin-4-yl]methanamine (CID 102800781) is [1-(1H-1,2,4-triazol-5-yl)piperidin-4-yl]methanamine.
What is the SMILES notation for [1-(1H-1,2,4-triazol-5-yl)piperidin-4-yl]methanamine?
The canonical SMILES for [1-(1H-1,2,4-triazol-5-yl)piperidin-4-yl]methanamine is NCC1CCN(c2ncn[nH]2)CC1.
What is the InChIKey of [1-(1H-1,2,4-triazol-5-yl)piperidin-4-yl]methanamine?
The InChIKey is WOSGOCOFSQOBLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5/c9-5-7-1-3-13(4-2-7)8-10-6-11-12-8/h6-7H,1-5,9H2,(H,10,11,12).
What are the key properties of [1-(1H-1,2,4-triazol-5-yl)piperidin-4-yl]methanamine?
[1-(1H-1,2,4-triazol-5-yl)piperidin-4-yl]methanamine has a molecular weight of 181.24 g/mol, XLogP of -0.02, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1H-1,2,4-triazol-5-yl)piperidin-4-yl]methanamine is sourced from PubChem (CID 102800781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).