(3S)-N-(5,6-diethyl-1,2,4-triazin-3-yl)piperidine-3-carboxamide

C13H21N5O — CID 104919476

IUPAC(3S)-N-(5,6-diethyl-1,2,4-triazin-3-yl)piperidine-3-carboxamide
SMILESCCc1nnc(NC(=O)[C@H]2CCCNC2)nc1CC
InChIInChI=1S/C13H21N5O/c1-3-10-11(4-2)17-18-13(15-10)16-12(19)9-6-5-7-14-8-9/h9,14H,3-8H2,1-2H3,(H,15,16,18,19)/t9-/m0/s1
InChIKeyGXCWWMOEHXJXLK-VIFPVBQESA-N
MW263.34 g/mol
LogP0.93
Rot. Bonds4

About (3S)-N-(5,6-diethyl-1,2,4-triazin-3-yl)piperidine-3-carboxamide

(3S)-N-(5,6-diethyl-1,2,4-triazin-3-yl)piperidine-3-carboxamide (PubChem CID 104919476) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is (3S)-N-(5,6-diethyl-1,2,4-triazin-3-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(5,6-diethyl-1,2,4-triazin-3-yl)piperidine-3-carboxamide
PubChem CID104919476
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name(3S)-N-(5,6-diethyl-1,2,4-triazin-3-yl)piperidine-3-carboxamide
SMILESCCc1nnc(NC(=O)[C@H]2CCCNC2)nc1CC
InChIInChI=1S/C13H21N5O/c1-3-10-11(4-2)17-18-13(15-10)16-12(19)9-6-5-7-14-8-9/h9,14H,3-8H2,1-2H3,(H,15,16,18,19)/t9-/m0/s1
InChIKeyGXCWWMOEHXJXLK-VIFPVBQESA-N
XLogP0.93
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-(5,6-diethyl-1,2,4-triazin-3-yl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-(5,6-diethyl-1,2,4-triazin-3-yl)piperidine-3-carboxamide (CID 104919476) is (3S)-N-(5,6-diethyl-1,2,4-triazin-3-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(5,6-diethyl-1,2,4-triazin-3-yl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-(5,6-diethyl-1,2,4-triazin-3-yl)piperidine-3-carboxamide is CCc1nnc(NC(=O)[C@H]2CCCNC2)nc1CC.
What is the InChIKey of (3S)-N-(5,6-diethyl-1,2,4-triazin-3-yl)piperidine-3-carboxamide?
The InChIKey is GXCWWMOEHXJXLK-VIFPVBQESA-N. The full InChI is InChI=1S/C13H21N5O/c1-3-10-11(4-2)17-18-13(15-10)16-12(19)9-6-5-7-14-8-9/h9,14H,3-8H2,1-2H3,(H,15,16,18,19)/t9-/m0/s1.
What are the key properties of (3S)-N-(5,6-diethyl-1,2,4-triazin-3-yl)piperidine-3-carboxamide?
(3S)-N-(5,6-diethyl-1,2,4-triazin-3-yl)piperidine-3-carboxamide has a molecular weight of 263.34 g/mol, XLogP of 0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(5,6-diethyl-1,2,4-triazin-3-yl)piperidine-3-carboxamide is sourced from PubChem (CID 104919476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).