N-(1-cyano-2-methylpropyl)-4-methyl-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidine-3-carboxamide

C16H21N7O — CID 71916887

IUPACN-(1-cyano-2-methylpropyl)-4-methyl-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidine-3-carboxamide
SMILESCC(C)C(C#N)NC(=O)C1CN(c2nccn3cnnc23)CC1C
InChIInChI=1S/C16H21N7O/c1-10(2)13(6-17)20-16(24)12-8-23(7-11(12)3)14-15-21-19-9-22(15)5-4-18-14/h4-5,9-13H,7-8H2,1-3H3,(H,20,24)
InChIKeySNKLSNXMASHVOY-UHFFFAOYSA-N
MW327.39 g/mol
LogP0.86
Rot. Bonds4

About N-(1-cyano-2-methylpropyl)-4-methyl-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidine-3-carboxamide

N-(1-cyano-2-methylpropyl)-4-methyl-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidine-3-carboxamide (PubChem CID 71916887) has the molecular formula C16H21N7O and a molecular weight of 327.39 g/mol. Its IUPAC name is N-(1-cyano-2-methylpropyl)-4-methyl-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(1-cyano-2-methylpropyl)-4-methyl-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidine-3-carboxamide
PubChem CID71916887
Molecular FormulaC16H21N7O
Molecular Weight327.39 g/mol
Exact Mass327.18
IUPAC NameN-(1-cyano-2-methylpropyl)-4-methyl-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidine-3-carboxamide
SMILESCC(C)C(C#N)NC(=O)C1CN(c2nccn3cnnc23)CC1C
InChIInChI=1S/C16H21N7O/c1-10(2)13(6-17)20-16(24)12-8-23(7-11(12)3)14-15-21-19-9-22(15)5-4-18-14/h4-5,9-13H,7-8H2,1-3H3,(H,20,24)
InChIKeySNKLSNXMASHVOY-UHFFFAOYSA-N
XLogP0.86
TPSA99.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyano-2-methylpropyl)-4-methyl-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(1-cyano-2-methylpropyl)-4-methyl-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidine-3-carboxamide (CID 71916887) is N-(1-cyano-2-methylpropyl)-4-methyl-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(1-cyano-2-methylpropyl)-4-methyl-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(1-cyano-2-methylpropyl)-4-methyl-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidine-3-carboxamide is CC(C)C(C#N)NC(=O)C1CN(c2nccn3cnnc23)CC1C.
What is the InChIKey of N-(1-cyano-2-methylpropyl)-4-methyl-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidine-3-carboxamide?
The InChIKey is SNKLSNXMASHVOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N7O/c1-10(2)13(6-17)20-16(24)12-8-23(7-11(12)3)14-15-21-19-9-22(15)5-4-18-14/h4-5,9-13H,7-8H2,1-3H3,(H,20,24).
What are the key properties of N-(1-cyano-2-methylpropyl)-4-methyl-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidine-3-carboxamide?
N-(1-cyano-2-methylpropyl)-4-methyl-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidine-3-carboxamide has a molecular weight of 327.39 g/mol, XLogP of 0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyano-2-methylpropyl)-4-methyl-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 71916887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).