piperidin-1-yl-[2-[2-(1,2,4-triazol-1-yl)ethylamino]-4-pyridinyl]methanone

C15H20N6O — CID 135092689

IUPACpiperidin-1-yl-[2-[2-(1,2,4-triazol-1-yl)ethylamino]-4-pyridinyl]methanone
SMILESO=C(c1ccnc(NCCn2cncn2)c1)N1CCCCC1
InChIInChI=1S/C15H20N6O/c22-15(20-7-2-1-3-8-20)13-4-5-17-14(10-13)18-6-9-21-12-16-11-19-21/h4-5,10-12H,1-3,6-9H2,(H,17,18)
InChIKeyGKDWZZWORJNONJ-UHFFFAOYSA-N
MW300.37 g/mol
LogP1.41
Rot. Bonds5

About piperidin-1-yl-[2-[2-(1,2,4-triazol-1-yl)ethylamino]-4-pyridinyl]methanone

piperidin-1-yl-[2-[2-(1,2,4-triazol-1-yl)ethylamino]-4-pyridinyl]methanone (PubChem CID 135092689) has the molecular formula C15H20N6O and a molecular weight of 300.37 g/mol. Its IUPAC name is piperidin-1-yl-[2-[2-(1,2,4-triazol-1-yl)ethylamino]-4-pyridinyl]methanone.

Molecular Properties

Compound Namepiperidin-1-yl-[2-[2-(1,2,4-triazol-1-yl)ethylamino]-4-pyridinyl]methanone
PubChem CID135092689
Molecular FormulaC15H20N6O
Molecular Weight300.37 g/mol
Exact Mass300.17
IUPAC Namepiperidin-1-yl-[2-[2-(1,2,4-triazol-1-yl)ethylamino]-4-pyridinyl]methanone
SMILESO=C(c1ccnc(NCCn2cncn2)c1)N1CCCCC1
InChIInChI=1S/C15H20N6O/c22-15(20-7-2-1-3-8-20)13-4-5-17-14(10-13)18-6-9-21-12-16-11-19-21/h4-5,10-12H,1-3,6-9H2,(H,17,18)
InChIKeyGKDWZZWORJNONJ-UHFFFAOYSA-N
XLogP1.41
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of piperidin-1-yl-[2-[2-(1,2,4-triazol-1-yl)ethylamino]-4-pyridinyl]methanone?
The IUPAC name of piperidin-1-yl-[2-[2-(1,2,4-triazol-1-yl)ethylamino]-4-pyridinyl]methanone (CID 135092689) is piperidin-1-yl-[2-[2-(1,2,4-triazol-1-yl)ethylamino]-4-pyridinyl]methanone.
What is the SMILES notation for piperidin-1-yl-[2-[2-(1,2,4-triazol-1-yl)ethylamino]-4-pyridinyl]methanone?
The canonical SMILES for piperidin-1-yl-[2-[2-(1,2,4-triazol-1-yl)ethylamino]-4-pyridinyl]methanone is O=C(c1ccnc(NCCn2cncn2)c1)N1CCCCC1.
What is the InChIKey of piperidin-1-yl-[2-[2-(1,2,4-triazol-1-yl)ethylamino]-4-pyridinyl]methanone?
The InChIKey is GKDWZZWORJNONJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O/c22-15(20-7-2-1-3-8-20)13-4-5-17-14(10-13)18-6-9-21-12-16-11-19-21/h4-5,10-12H,1-3,6-9H2,(H,17,18).
What are the key properties of piperidin-1-yl-[2-[2-(1,2,4-triazol-1-yl)ethylamino]-4-pyridinyl]methanone?
piperidin-1-yl-[2-[2-(1,2,4-triazol-1-yl)ethylamino]-4-pyridinyl]methanone has a molecular weight of 300.37 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-yl-[2-[2-(1,2,4-triazol-1-yl)ethylamino]-4-pyridinyl]methanone is sourced from PubChem (CID 135092689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).