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

C13H21N5O — CID 102780150

IUPACN-(5,6-diethyl-1,2,4-triazin-3-yl)-3-methylpyrrolidine-2-carboxamide
SMILESCCc1nnc(NC(=O)C2NCCC2C)nc1CC
InChIInChI=1S/C13H21N5O/c1-4-9-10(5-2)17-18-13(15-9)16-12(19)11-8(3)6-7-14-11/h8,11,14H,4-7H2,1-3H3,(H,15,16,18,19)
InChIKeySYBNJHISONTPJT-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.93
Rot. Bonds4

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

N-(5,6-diethyl-1,2,4-triazin-3-yl)-3-methylpyrrolidine-2-carboxamide (PubChem CID 102780150) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is N-(5,6-diethyl-1,2,4-triazin-3-yl)-3-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(5,6-diethyl-1,2,4-triazin-3-yl)-3-methylpyrrolidine-2-carboxamide
PubChem CID102780150
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC NameN-(5,6-diethyl-1,2,4-triazin-3-yl)-3-methylpyrrolidine-2-carboxamide
SMILESCCc1nnc(NC(=O)C2NCCC2C)nc1CC
InChIInChI=1S/C13H21N5O/c1-4-9-10(5-2)17-18-13(15-9)16-12(19)11-8(3)6-7-14-11/h8,11,14H,4-7H2,1-3H3,(H,15,16,18,19)
InChIKeySYBNJHISONTPJT-UHFFFAOYSA-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 N-(5,6-diethyl-1,2,4-triazin-3-yl)-3-methylpyrrolidine-2-carboxamide?
The IUPAC name of N-(5,6-diethyl-1,2,4-triazin-3-yl)-3-methylpyrrolidine-2-carboxamide (CID 102780150) is N-(5,6-diethyl-1,2,4-triazin-3-yl)-3-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(5,6-diethyl-1,2,4-triazin-3-yl)-3-methylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(5,6-diethyl-1,2,4-triazin-3-yl)-3-methylpyrrolidine-2-carboxamide is CCc1nnc(NC(=O)C2NCCC2C)nc1CC.
What is the InChIKey of N-(5,6-diethyl-1,2,4-triazin-3-yl)-3-methylpyrrolidine-2-carboxamide?
The InChIKey is SYBNJHISONTPJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-4-9-10(5-2)17-18-13(15-9)16-12(19)11-8(3)6-7-14-11/h8,11,14H,4-7H2,1-3H3,(H,15,16,18,19).
What are the key properties of N-(5,6-diethyl-1,2,4-triazin-3-yl)-3-methylpyrrolidine-2-carboxamide?
N-(5,6-diethyl-1,2,4-triazin-3-yl)-3-methylpyrrolidine-2-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 N-(5,6-diethyl-1,2,4-triazin-3-yl)-3-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 102780150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).