1-(2-aminoethyl)-N-(1-pyrazin-2-ylpiperidin-3-yl)triazole-4-carboxamide

C14H20N8O — CID 70704743

IUPAC1-(2-aminoethyl)-N-(1-pyrazin-2-ylpiperidin-3-yl)triazole-4-carboxamide
SMILESNCCn1cc(C(=O)NC2CCCN(c3cnccn3)C2)nn1
InChIInChI=1S/C14H20N8O/c15-3-7-22-10-12(19-20-22)14(23)18-11-2-1-6-21(9-11)13-8-16-4-5-17-13/h4-5,8,10-11H,1-3,6-7,9,15H2,(H,18,23)
InChIKeyDFWTUZBHRMPXAJ-UHFFFAOYSA-N
MW316.37 g/mol
LogP-0.57
Rot. Bonds5

About 1-(2-aminoethyl)-N-(1-pyrazin-2-ylpiperidin-3-yl)triazole-4-carboxamide

1-(2-aminoethyl)-N-(1-pyrazin-2-ylpiperidin-3-yl)triazole-4-carboxamide (PubChem CID 70704743) has the molecular formula C14H20N8O and a molecular weight of 316.37 g/mol. Its IUPAC name is 1-(2-aminoethyl)-N-(1-pyrazin-2-ylpiperidin-3-yl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-aminoethyl)-N-(1-pyrazin-2-ylpiperidin-3-yl)triazole-4-carboxamide
PubChem CID70704743
Molecular FormulaC14H20N8O
Molecular Weight316.37 g/mol
Exact Mass316.18
IUPAC Name1-(2-aminoethyl)-N-(1-pyrazin-2-ylpiperidin-3-yl)triazole-4-carboxamide
SMILESNCCn1cc(C(=O)NC2CCCN(c3cnccn3)C2)nn1
InChIInChI=1S/C14H20N8O/c15-3-7-22-10-12(19-20-22)14(23)18-11-2-1-6-21(9-11)13-8-16-4-5-17-13/h4-5,8,10-11H,1-3,6-7,9,15H2,(H,18,23)
InChIKeyDFWTUZBHRMPXAJ-UHFFFAOYSA-N
XLogP-0.57
TPSA114.85 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-N-(1-pyrazin-2-ylpiperidin-3-yl)triazole-4-carboxamide?
The IUPAC name of 1-(2-aminoethyl)-N-(1-pyrazin-2-ylpiperidin-3-yl)triazole-4-carboxamide (CID 70704743) is 1-(2-aminoethyl)-N-(1-pyrazin-2-ylpiperidin-3-yl)triazole-4-carboxamide.
What is the SMILES notation for 1-(2-aminoethyl)-N-(1-pyrazin-2-ylpiperidin-3-yl)triazole-4-carboxamide?
The canonical SMILES for 1-(2-aminoethyl)-N-(1-pyrazin-2-ylpiperidin-3-yl)triazole-4-carboxamide is NCCn1cc(C(=O)NC2CCCN(c3cnccn3)C2)nn1.
What is the InChIKey of 1-(2-aminoethyl)-N-(1-pyrazin-2-ylpiperidin-3-yl)triazole-4-carboxamide?
The InChIKey is DFWTUZBHRMPXAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N8O/c15-3-7-22-10-12(19-20-22)14(23)18-11-2-1-6-21(9-11)13-8-16-4-5-17-13/h4-5,8,10-11H,1-3,6-7,9,15H2,(H,18,23).
What are the key properties of 1-(2-aminoethyl)-N-(1-pyrazin-2-ylpiperidin-3-yl)triazole-4-carboxamide?
1-(2-aminoethyl)-N-(1-pyrazin-2-ylpiperidin-3-yl)triazole-4-carboxamide has a molecular weight of 316.37 g/mol, XLogP of -0.57, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-N-(1-pyrazin-2-ylpiperidin-3-yl)triazole-4-carboxamide is sourced from PubChem (CID 70704743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).