1-(1H-1,2,4-triazol-5-ylmethyl)piperidin-4-amine

C8H15N5 — CID 124907982

IUPAC1-(1H-1,2,4-triazol-5-ylmethyl)piperidin-4-amine
SMILESNC1CCN(Cc2ncn[nH]2)CC1
InChIInChI=1S/C8H15N5/c9-7-1-3-13(4-2-7)5-8-10-6-11-12-8/h6-7H,1-5,9H2,(H,10,11,12)
InChIKeyIJEFCGAIJHRFEN-UHFFFAOYSA-N
MW181.24 g/mol
LogP-0.27
Rot. Bonds2

About 1-(1H-1,2,4-triazol-5-ylmethyl)piperidin-4-amine

1-(1H-1,2,4-triazol-5-ylmethyl)piperidin-4-amine (PubChem CID 124907982) 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-ylmethyl)piperidin-4-amine.

Molecular Properties

Compound Name1-(1H-1,2,4-triazol-5-ylmethyl)piperidin-4-amine
PubChem CID124907982
Molecular FormulaC8H15N5
Molecular Weight181.24 g/mol
Exact Mass181.13
IUPAC Name1-(1H-1,2,4-triazol-5-ylmethyl)piperidin-4-amine
SMILESNC1CCN(Cc2ncn[nH]2)CC1
InChIInChI=1S/C8H15N5/c9-7-1-3-13(4-2-7)5-8-10-6-11-12-8/h6-7H,1-5,9H2,(H,10,11,12)
InChIKeyIJEFCGAIJHRFEN-UHFFFAOYSA-N
XLogP-0.27
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 ≤ 5-0.27
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-ylmethyl)piperidin-4-amine?
The IUPAC name of 1-(1H-1,2,4-triazol-5-ylmethyl)piperidin-4-amine (CID 124907982) is 1-(1H-1,2,4-triazol-5-ylmethyl)piperidin-4-amine.
What is the SMILES notation for 1-(1H-1,2,4-triazol-5-ylmethyl)piperidin-4-amine?
The canonical SMILES for 1-(1H-1,2,4-triazol-5-ylmethyl)piperidin-4-amine is NC1CCN(Cc2ncn[nH]2)CC1.
What is the InChIKey of 1-(1H-1,2,4-triazol-5-ylmethyl)piperidin-4-amine?
The InChIKey is IJEFCGAIJHRFEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5/c9-7-1-3-13(4-2-7)5-8-10-6-11-12-8/h6-7H,1-5,9H2,(H,10,11,12).
What are the key properties of 1-(1H-1,2,4-triazol-5-ylmethyl)piperidin-4-amine?
1-(1H-1,2,4-triazol-5-ylmethyl)piperidin-4-amine has a molecular weight of 181.24 g/mol, XLogP of -0.27, 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-ylmethyl)piperidin-4-amine is sourced from PubChem (CID 124907982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).