2-[4-[4-ethyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanamine

C14H24N8 — CID 72933636

IUPAC2-[4-[4-ethyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanamine
SMILESCCn1c(Cn2cncn2)nnc1C1CCN(CCN)CC1
InChIInChI=1S/C14H24N8/c1-2-22-13(9-21-11-16-10-17-21)18-19-14(22)12-3-6-20(7-4-12)8-5-15/h10-12H,2-9,15H2,1H3
InChIKeyJCYKYAIIVSGWKV-UHFFFAOYSA-N
MW304.40 g/mol
LogP0.08
Rot. Bonds6

About 2-[4-[4-ethyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanamine

2-[4-[4-ethyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanamine (PubChem CID 72933636) has the molecular formula C14H24N8 and a molecular weight of 304.40 g/mol. Its IUPAC name is 2-[4-[4-ethyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanamine.

Molecular Properties

Compound Name2-[4-[4-ethyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanamine
PubChem CID72933636
Molecular FormulaC14H24N8
Molecular Weight304.40 g/mol
Exact Mass304.21
IUPAC Name2-[4-[4-ethyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanamine
SMILESCCn1c(Cn2cncn2)nnc1C1CCN(CCN)CC1
InChIInChI=1S/C14H24N8/c1-2-22-13(9-21-11-16-10-17-21)18-19-14(22)12-3-6-20(7-4-12)8-5-15/h10-12H,2-9,15H2,1H3
InChIKeyJCYKYAIIVSGWKV-UHFFFAOYSA-N
XLogP0.08
TPSA90.68 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-ethyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanamine?
The IUPAC name of 2-[4-[4-ethyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanamine (CID 72933636) is 2-[4-[4-ethyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanamine.
What is the SMILES notation for 2-[4-[4-ethyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanamine?
The canonical SMILES for 2-[4-[4-ethyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanamine is CCn1c(Cn2cncn2)nnc1C1CCN(CCN)CC1.
What is the InChIKey of 2-[4-[4-ethyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanamine?
The InChIKey is JCYKYAIIVSGWKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N8/c1-2-22-13(9-21-11-16-10-17-21)18-19-14(22)12-3-6-20(7-4-12)8-5-15/h10-12H,2-9,15H2,1H3.
What are the key properties of 2-[4-[4-ethyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanamine?
2-[4-[4-ethyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanamine has a molecular weight of 304.40 g/mol, XLogP of 0.08, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-ethyl-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanamine is sourced from PubChem (CID 72933636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).